Publications

Quickly jump to the following years directly: 1999, 1998, 1997, 1996, 1995, 1994, 1993, 1992, 1991, 1990

1999

99-001
Peter Schuster.
Evolution von und mit Molekülen
In: Th. Kircher, B. Lembcke, and M. Kist (eds).
Ökosystem Darm, Mikrobiologie, Tumorpathogenese, Neurgastroenterologie, Grundlagenforschung für neue Therapieoptionen VIII: 299-321, Springer-Verlag, Berlin, 1999.

99-001a
Peter Schuster.
Evolution in molekularer Auflösung.
In: Berichte und Abhandlungen, Band 6. Berlin-Brandenburgische Akademie der Wissenschaften, pp. 187-215, Akademie Verlag, Berlin, 1999

99-002
Peter Schuster.
Is preservation of diversity a constraint on molecular evolution?
In: Hans Frauenfelder, J. Deisenhofer, and Peter G. Wolynes (eds).
Simplicity and Complexity in Proteins and Nucleic Acids.
Dahlem Workshop Report. Dahlem University Press, Kap.18, pp. 313-337 1999

99-003
Peter Schuster.
Grundprinzipien der Selbstorganisation in komplexen Systemen.
In: Karl Toifl (ed.)
Chaostheorie und Medizin. Selbstorganisation im komplexen System Mensch.
Verlag Wilhelm Maudrich, Wien, pp. 9-28, 1999.

99-004
Peter Schuster.
Molecular insights into evolution.
Artif. Life Robotics, 3: 19-23, 1999.

99-005
Peter Schuster.
Künstliche Evolution. Von der Theorie zur Erzeugung neuer Biomoleküle mit vorherbestimmbaren Eigenschaften.
In: D. Ganten, K. Urban, H. Schwarz, H. Ropers, H. Scheich, and E. Truscheit (eds).
Gene, Neuronen, Q-Bits & Co. Unsere Welten der Information.
Verhandlungen der Gesellschaft Deutscher Naturforscher und Ärzte. 120. Versammlung. Berlin 1998. S. Hirzel. Wissenschaftliche Verlagsgesellschaft, Stuttgart, Germany, pp. 147-162, 1999.

99-006
Peter Schuster.
Beherrschung von Komplexität in der Molekularen Evolution.
In: Klaus Mainzer (ed.)
Komplexe Systeme und Nichtlineare Dynamik in der Natur und Gesellschaft. Komplexitätsforschung in Deutschland auf dem Weg ins nächste Jahrtausend.
Springer-Verlag, pp. 117-145, Berlin, 1999.

99-007
Peter Schuster, and Peter F. Stadler.
Nature and Evolution of Early Replicons.
In: Origin and Evolution of Viruses, E. Domingo, R. G. Webster, J. Holland (eds).
Academic Press, pp. 1-24, San Diego, 1999

99-008
Peter Schuster, and Walter Fontana.
Chance and necessity in evolution: Lessons from RNA.
Physica D, 133: 427-452 1999.

99-009
Peter Schuster, and Peter Wolschann.
Hydrogen bonding: From small clusters to biopolymers.
Mh. Chem., 130: 947-960, 1999.

99-010
Peter F. Stadler.
Fitness Landscapes Arising from the Sequence-Structure Maps of Biopolymers.
J. Mol. Struct.(THEOCHEM), 463: 7-19, 1999

99-011
Peter F. Stadler, and G. Tinhofer.
Equitable Partitions, Coherent Algebras and Random Walks: Applications to the Correlation Structure of Landscapes.
Match, 40: 215-261, 1999

99-012
Peter F. Stadler, and Robert Happel.
Random field models for fitness landscapes.
J. Math. Biol., 38: 435-478, 1999.

99-013
Robert Happel, and Peter F. Stadler.
Autocatalytic replication in a CSTR and constant organization.
J. Math. Biol., 38: 422-434, 1999.

99-014
Ivo L. Hofacker, and Peter F. Stadler.
Automatic detection of conserved base pairing patterns in RNA virus genomes.
Comp. & Chem., 23: 401-414, 1999.

99-015
Christoph Flamm, Ivo L. Hofacker, and Peter F. Stadler.
RNA in silico: The Computational Biology of RNA Secondary Structures.
Adv. Complex Syst., 2: 65-90, 1999.

99-016
Jan Cupal, Peter Schuster, and Peter F. Stadler.
Topology in Phenotype Space.
In: R. Giegerich et al. (eds.)
Computer Science in Biology, GCB'99 Proceedings, pp 9-15, Univ. Bielefeld, Hannover, Germany, 1999.

99-017
Christian Haslinger, and Peter F. Stadler.
RNA Structures with Pseudo-knots: Graph-theoretical, Combinatorial, and Statistical Properities.
Bull. Math. Biol., 61: 437-467, 1999.

99-018
Roman Stocsits, Ivo L. Hofacker, and Peter F. Stadler.
Conserved Secondary Structures in Hepatitis B Virus RNA.
In: R. Giegerich et al. (eds.)
Computer Science in Biology, GCB'99 Proceedings, pp. 73-79, Univ. Bielefeld, Hannover, Germany, 1999

99-019
Günther Weberndorfer, Ivo L. Hofacker, and Peter F. Stadler.
An Efficient Potential for Protein Sequence Design.
In: R. Giegerich et al. (eds.)
Computer Science in Biology, GCB'99 Proceedings, pp. 107-112, Univ. Bielefeld, Hannover, Germany, 1999

99-020
Bärbel M.R. Stadler.
Adaptive Platform Dynamics in Multi-party Spatial Voting.
Adv.Complex Systems, 2: 101-116, 1999.

99-021
Günter P. Wagner, and Peter F. Stadler.
Complex Adaptations and the Structure of Recombination Spaces.
In: C. L. Nehaniv, M. Ito (eds).
Algebraic Engineering World Scientific. "Proceedings of the Conference on Semi-Groups and Algebraic Engineering"
University of Aizu, Japan, pp. 96-115, 1999.

99-022
Andreas Wagner, and Peter F. Stadler.
Viral RNA and Evolved Mutational Robustness.
J. Exper. Zool. (Molec. Develop. Evol. Biol.), 285: 119-127, 1999.

99-023
Alexandra Maier, Heinz Sklenar, Herbert F. Kratky, Alexander Renner, and Peter Schuster.
Force field based conformational analysis of RNA structural motifs: GNRA tetraloops and their pyrimidine relatives.
Eur. Biophys.J., 28: 564-573, 1999.

99-024
Stefan Wuchty, Walter Fontana, Ivo L. Hofacker, and Peter Schuster.
Complete suboptimal folding of RNA and the stability of secondary structures.
Biopolymers, 49: 145-165, 1999.

99-025
Viviane M. de Oliveira, José F. Fontanari, and Peter F. Stadler.
Metastable states in Short-ranged p-spin Glasses.
J.Phys. A: Math.Gen., 32: 8793-8802, 1999.

99-026
Luckhana Lawtrakul, Supa Hannongbua, Anton Beyer, and Peter Wolschann.
Conformational study of the HIV-1 Reverse Transcriptase Inhibitor 1-((2-Hydroxyethoxy) methyl)-6-(phenylthio)thymine (HEPT).
Biol. Chem., 380: 265-267, 1999.

99-027
Luckhana Lawtrakul, Supa Hannongbua, Anton Beyer, and Peter Wolschann.
Molecular Calculations on the Conformation of the HIV-1 Reverse Transcriptase Inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT).
Mh. Chem., 130: 1347-1363, 1999.

99-028
Supa Hannongbua, Pornpan Pungpo, Jumras Limtrakul, and Peter Wolschann.
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors.
J. Comp. Aided Mol. Design., 13: 563-577, 1999.

99-029
Aleksander Koll, and Peter Wolschann.
Mannich-Bases as Model Compounds for Intramolecular Hydrogen Bonding II. Structure and Properties in Solution.
Mh. Chem., 130: 983-1001, 1999.

99-030
Thomas Müller, Michael Dallos, and Hans Lischka.
The ethylene 1¹B_1u V state revisited.
J. Chem. Phys., 110(15): 7176-7184, 1999.

99-031
Alfred Karpfen.
Torsional Potentials of Perfluoro-1,3-butadiene and Perfluoro-1,3,5-hexatriene: A Comparison of ab initio and Density Functional Results.
J. Phys. Chem., 103: 2821-2827, 1999.

99-032
Alfred Karpfen.
The intermolecular interaction between amines and F₂. An ab initio study.
Chem. Phys. Lett., 299: 493-502, 1999.

99-033
Alfred Karpfen.
The Dimer of Acetylene and the Dimer of Diacetylene: A Floppy and a Very Floppy Molecule.
J. Phys. Chem., 103: 11431-11441, 1999.

99-034
Alfred Karpfen.
The Dimer of Cyanodiacetylene: Stacking vs. Hydrogen Bonding.
Mh. Chem., 130: 1017-1030, 1999.

99-035
Werner Jakubetz, Jonathan N. L. Connor, and Philip J. Kuntz.
A classical-path surface study of Mu, H and T hot-atom collisions with F₂.
Phys. Chem. Chem., 1: 1213-1225, 1999.

99-036
Werner Jakubetz.
Comment.
Faraday Discuss.,113: 355, 1999.

99-037
Thomas Hoffmann-Ostenhof, Peter W. Michor, and Nikolai Nadirashvili.
Bounds on the Multiplicity of Eigenvalues for Fixed Membranes.
GAFA, Geom.Funct.Anal., 9: 1169-1188, 1999.

99-038
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhoff, and Nikolai Nadirashvili.
On the Multiplicity of Eigenvalues of the Laplacian on Surfaces.
Annals of Global Analysis and Geometry, 17: 43-48, 1999.

99-039
Bernard Helffer, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhoff, and Mark P. Owen.
Nodal Sets for Groundstates of Schrödinger Operators with Zero Magnetic Field in Non Simply Connected Domains.
Comm. Math. Phys., 202: 629-649, 1999.

99-040
R, Hardt, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhoff, and Nikolai Nadirashvili.
Critical Sets of Solutions to elliptic Equations.
J. Differential Geometry, 51: 359-373, 1999.

99-041
Stefan Boresch, and Othmar Steinhauser.
Rationalizing the Effects of Modified Electrostatic Interactions in Computer Simulations: The Dielectric Self-Consistent Field (DSCF) Method.
J. Chem. Phys., 111: 8271-8274, 1999.

99-042
Stefan Boresch, and Sabine Ringhofer, Peter Höchtl, and Othmar Steinhauser.
Towards a better Understanding and Description of Biomolecular Solvation.
Biophys. Chem., 78: 43-68, 1999.

99-043
Stefan Boresch, and Martin Karplus.
The Role of Bonded Terms in Free Energy Simulations: I. Theoretical Analysis.
J. Phys. Chem. A., 103: 103-118, 1999.

99-044
Stefan Boresch, and Martin Karplus.
The Role of Bonded Terms in Free Energy Simulations: II. Calculation of their Influence on free Energy Differences of Solvation.
J. Phys. Chem. A., 103: 119-136, 1999.

99-045
Stefan Boresch, and Martin Karplus.
A Molecular Dynamics Simulation Study of the Unfolding of Barnase Induced by Reaction Field Perturbation.
PCCP, 1: 4355-4370, 1999.

99-046
Sabine Ringhofer, Jörg Kallen, Raimund Dutzler, Andreas Billich, A. J. W. G. Visser, D. Scholz, Othmar Steinhauser, Helfried Schreiber, Manfred Auer, and Andreas J. Kungl.
X-Ray Structure and Conformational Dynamics of the HIV-1 Protease in Complex with the Inhibitor SDZ283-910: Agreement of Tim-Resolved Spectroscopy and Molecular Dynamics Simulations.
J. Mol. Biol., 286: 1147-1159, 1999.

99-047
Sigfried Höfinger, Othmar Steinhauser, and Peter Zinterhof.
Performance Analysis and Derived Paralellization Strategy for a SCF Program at the Hartree Fock Level.
Lect. Nt. Comp. Sc., 1557: 163, 1999.

99-048
Christian Th. Klein, and Bernd Mayer.
Sources for structure formation and switches in metabolic pathways.
BioSystems, 51: 41-52, 1999.

99-049
Bernd Mayer, Christian Th. Klein, Irina N. Topchieva, and Gottfried Köhler.
Selective assembly of cyclodextrins on poly(ethylene oxide)-poly(propylene oxide) block copolymers.
J. Comp.-Aided Mol. Design, 13: 373-383, 1999.

99-901
Anna Eremenko, Natalie Smirnova, Olga Rusina, Karl Rechthaler, Gottfried Köhler, Vladimir Ogenko, and Alaxaj Chuiko.
Photophysical Study of Donor-Acceptor-Substituted Stilbenes on Silica-Titania Surfaces.
In: Fundamental and Applied Aspects of Chemically Modified Surfaces.
J. Blitz and Ch. Little (eds).
The Royal Society of Chemistry, Canbridge, 333-340, 1999.

99-902
Tadashi Okada, Makoto Uesugi, Gottfried Köhler, Karl Rechthaler, Krystyna Rotkiewicz, Wolfgang Rettig, and Gottfried Grabner.
Time-resolved Spectroscopy of DMABN and Its Cage Derivatives 6-Cyanobenzquinuclidineand Benzquinuclidine.
Chem. Phys., 241: 327-337, 1999.

99-903
Andreas Parusel, Gottfried Köhler, and Marcel Nooijen.
A Coupled-Cluster Analysis of the exlectronic Excited States in Aminobenzonitriles.
J. Phys. Chem. A, 103: 4056-4064, 1999.

99-904
Karl Rechthaler, Rudolf Schamschule, Andreas Parusel, Krystyna Rotkiewicz, Danuta Piorun, and Gottfried Köhler.
Fluorescence Properties of an Electron-Acceptor Substituted Bis-Pyeazolopyridine Derivative: NO₂-DMPP.
Acta. Phys. Polon., 95: 321-334, 1999.

99-905
Dominik Hermann, Anna-Christine Schnock, Kurt Polborn, Rudolf Gomper and Susanne Stark, Andreas Parusel, Gottfried Grabner, and Gottfried Köhler.
Synthesis, Spectroscopy and Semiempirical Study of a Novel Porphyrin-Flavin Dyad.
Chem. Eur. J., 5: 3208-3220, 1999.

99-906
Clemens Armbruster, Martin Knapp, Karl Rechthaler, Rudolf Schamschule, Andreas B.J. Parusel, Gottfried Köhler, and Wolfgang Wehrmann.
Fluorescence Properties of 1-Heptanoylpyrene. A Probe for Hydrogen Bonding in Microaggregates and Biological Membranes.
J. Photochem. Photobiol. A: Chem., 125: 29-38, 1999.

99-907
R. S. Murphy, T. C. Barrows, J. Barnes, Bernd Mayer, Giancarlo Marconi, and Cornelia Bohne.
Complexation of Fluorenone and Xanthone to Cyclodextrins. Comparison of Theoretical and Experimental Studies.
J. Phys. Chem., 103: 137-146, 1999.

99-908
Hiroshi Miyasaka, Akira Itaya, Krystyna Rotkiewicz, and Karl Rechthaler.
Picosecond laser photolysis studies of DMA-DMPP in solution.
Chem. Phys. Lett., 307: 121-130, 1999.

99-909
Claire Richard, and Gottfried Grabner.
Mechanism of phototransformation of phenol and derivatives in aqueous solution.
P.Boule (ed.)
In: Handbook of Environmental Chemistry.
Part L, Vol.2, Springer-Verlag, Heidelberg, 217-240, 1999.

99-910
Florent Bonnichon, Gottfried Grabner, Guislain Guyot, and Claire Richard.
Photochemistry of substituted 4-halogenophenols. Effect of a CN substituent.
J. Chem. Soc. Perkin Trans., II., 1203-1210, 1999.

99-911
Pierre Boule, Khaled Othmen, Claire Richard, Beata Szczepanik, and Gottfried Grabner.
Phototransformation of halogenoaromatic derivatives in aqueous solution.
J. Photoenergy, 1: 56-61, 1999.

99-912
Anke Welland, Friedemann W. Schneider, and Andreas B.J. Parusel.
Dual fluorescence of iso-NEQ cation in ethanol and methanol: A time-resolved emission and semiempirical study.
Chem.Phys., 240: 403-412, 1999.

99-913
K. Pirowska, Andreas B.J. Parusel, Jan Najbar, P. Kodek, and Peter Gajdek.
The LIF excitation spectrum of jet-cooled 3-aminobiphenyl.
Chem. Phys. Lett., 310: 537-547, 1999.

99-914
Friederike Swoboda, and Sonja Solar.
Comparative study on the radiolytic degradation of 4-hydroxybenzoate and 4-hydroxybenzoic ethyl ester.
Radiation Physics and Chemistry, 56: 291-301, 1999.

99-915
Robert Zona, Susanne Schmid, and Sonja Solar.
Detoxification of Aqueous Chlorophenol Solutions by Ionizing Radiation.
Wat. Res., 33(5): 1314-1319, 1999.

99-916
Christine Krach, Gerhard Sonntag, and Sonja Solar.
A simple chemical method for identification of irradiated industrial processed food..
Food Research International, 32: 43-47, 1999.

1998

98-001
Peter Schuster.
Was ist Leben?
Vortrag beim Österreichischen Wissenschaftstag 1998.
In: G. Magerl and K. L. Komarek, eds.
Virtualität und Realität. Bild und Wirklichkeit in den Naturwissenschaften.
Wissenschaft-Bildung-Politik. Vol. 2: 114-142. Verlag Böhlau, Wien, Österreichische Forschungsgemeinschaft, 1998.

98-002
Peter Schuster.
Evolution in an RNA world.
Foundations of Modern Biochemistry, Vol. 4: 159-198, 1998

98-003
Peter Schuster, and Peter F. Stadler.
Sequence redundancy in biopolymers. A study on RNA and protein structures.
In: Gerald Myers, ed.
Viral Regulatory Structures.
SFI Studies in the Scienceses of Complexity. Advances in HIV and HPV virus research, Vol. XXVIII: 163-186, Addison-Wesley, Reading MA, 1998.

98-004
Peter F. Stadler.
Gneric Properities of the sequence-Structure Relations of Biopolymers.
In: "Exobiology: Matter, Energy, and Information in the Origin of Life in the Universe".
J. Chela-Flores and F. Raulin (eds).
Kluwer, Dordrecht, 1998

98-005
Peter F. Stadler, and Günther P. Wagner.
The algebraic theory of recombination spaces.
Evol. Comp., 5: 241-275, 1998.

98-006
Paul E. Phillipson, and Peter Schuster.
Analytics of bifurcation.
Int. J. of Bifurcation and Chaos, 8, No. 3: 471-482, 1998.

98-007
Josef Leydold, and Peter F. Stadler.
Minimal cycle bases of outerplanar graphs.
Elec. J. Comb., 5: R16, 1998.

98-008
Wim Hordijk, and Peter F. Stadler.
Amplitude spectra of fitness landscapes.
J. Complex Systems, 1: 39-66, 1998.

98-009
Christian W. Mandl, Heidemarie Holzmann, Tamara Meixner, Susanne Rauscher, Peter F. Stadler, Steven L. Allison, and Franz X. Heinz.
Spontaneous and engineered deletions in the 3'-noncoding region of tick-borne encephalitis virus: Construction of highly attenuated mutants of flavivirus.
J. Virology 72: 2132-2140, 1998.

98-010
John H. Miller, and Peter F. Stadler.
The dynamics of locally adaptive parties under spatial voting.
J. Economic Dynamics and Control, 23: 171-189, 1998.

98-011
Robert Happel, and Peter F. Stadler.
The Evolution of Diversity in Replicator Networks.
J. theor. Biol., 195: 329-338, 1998.

98-012
Peter R. Wills, Stuart A. Kaufmann, Bärbel M. R. Stadler, and Peter F. Stadler.
Selection Dynamics in Autocatalytic Systems: Templates Replicating Trough Binary Ligation.
Bull. Math. Biol., 60: 1073-1098, 1998.

98-013
Walter Fontana, and Peter Schuster.
Continuity in evolution. On the nature of transitions.
Science, 280: 1451-1455, 1998.

98-014
Walter Fontana, and Peter Schuster.
Shaping space. The possible and the attainable in RNA genotype-phenotype mapping.
J. Theor. Biol., 194: 491-515,1998.

98-015
Ivo L. Hofacker, Peter Schuster, and Peter F. Stadler.
Combinatorics of RNA secondary structures.
Discr. Appl. Math., Vol. 88: 207-237, 1998.

98-016
Ivo L. Hofacker, Martin Fekete, Christoph Flamm, Martijn A. Huynen, Susanne Rauscher, Paul E. Stolorz, and Peter F. Stadler.
Automatic detection of conserved RNA structure elements in complete RNA virus genomes.
Nucl. Acids Res. 26: 2825-2836, 1998.

98-017
Christian Th. Klein.
Hysteresis-driven Structure Formation in Biochemical Networks.
J. theor. Biol. 000: 000-000, 1998.

98-018
Christian Th. Klein, Bernd Mayer, Gottfried Köhler, and Peter Wolschann.
Systematic Stepsize Variation: Efficient Method for Searching Conformational Space of Polypeptides.
J. Comp. Chem., Vol. 19: No. 13, 1470-1481, 1998.

98-019
Gerhard Buchbauer, Christian Th. Klein, H Pircher, and Peter Wolschann.
Struktur- und Wirkungsbeziehungen bei Riech- und Aromastoffen.
Lebensmittelchemie.,52, 146-149, 1998.

98-020
Gerhard Buchbauer, Helmut Spreitzer, Friederike Zechenmeister-Machart, Alexander Klinsky, Petra Weiß-Greiler, and Peter Wolschann.
Structure-oudour-relationships of sandalwood odrants. Synthesis and olfactoric of keto-b-santalol and methoxy-b-santalol.
European journal of medicinal Chemistry, 33: 463-470, 1998.

98-021
Gerhard Ecker, Wilhelm Fleischhacker, Christian Wolf, Petra Weiß-Greiler, and Peter Wolschann.
An quantum chemical study on levcromakalim.
Mh. Chem.,129: 633-642, 1998.

98-022
Walter Jäger, Bettina Zembsch, Peter Wolschann, Ernst Pittenauer, Adrian M. Senderowicz, and Edward A. Sausville, Hans H. Sedlacek, Jürg Graf, and Therese Thalhammer.
Metabolism of the anticancer drug flavopiridol. A new inhibitor of cyclin dependent kinases, in rat liver.
Life Sciences, 62, 20: 1861-1873, 1998.

98-023
Somsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, and Bernd M. Rode.
Comparative molecular field analysis of artemisini derivates: Ab initio versus semiemprical optimized structures.
J. Comp. Aided Molec. Design, 12: 397-409, 1998.

98-024
Somsak Tonmunphean, Stephan Irle, Sirirat Kokpol, Vudhichai Parasuk, and Peter Wolschann.
Ab initio and density functional study on singlet and triplet states of artemisinin.
J. Molec. Structure, 454: 87-90, 1998.

98-025
Thomas Müller, Sotiris S. Xantheas, Holger Dachsel, Robert J. Harrison, Jaroslaw Nieplocha, Ron Shepard, Gary S. Kedziora, and Hans Lischka.
A systematic ab initio investigation of the open and ring strructures of ozone.
Chem. Phys. Lett., 293: 72-80, 1998.

98-026
Alfred Karpfen.
Ab initio studies on cyanoacetylene oligomers: Rings and chains versus stacked clusters.
J. Phys. Chem., A 102: 9286-9296, 1998.

98-027
Carlos Alemán, Victor M. Domingo, Liuís Fajrí, Luis Juliá, and Alfred Karpfen.
Molecular and electronic structures of heteroaromatic oligomers: Model compounds of polymers with quantum-well structures.
J. Org. Chem., 63: 1041-1048, 1998.

98-028
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
On the nodal line conjecture.
Contemporary Math., 217: 33-48, 1998.

98-029
Peter Höchtl, Stefan Boresch, Wolfgang Bitomsky, and Othmar Steinhauser.
Rationalization of the Dielectric Properties of SPC, SPC/E and TIP3P in terms of their force field parameters.
J. Chem. Phys., 109: 4927-4937, 1998.

98-030
Ivo L. Hofacker.
RNA Secondary Structures: A Tractable Model of Biopolymer Folding..
In: P. Grassberger, G. Barkema, and W. Nadler (eds).
Monte Carlo Approach to Biopolymers and Protein Folding,World Scientific, pp. 171-182, Singapore, 1998.

98-031
Peter Schuster.
Origine de elaborazione delle informazioni biologiche.
In: Andrea Turchi (ed).
Frontiere della Vita. Volume Primo: All'origine della vita. Parte Primo: Origine ed evoluzione della vita.
Instituto della Enciclopedia Italiana. pages 313-331, Rome, Italy, 1998.

98-901
Rudolf Schamschule, Andreas B. J. Parusel, and Gottfried Köhler.
Dual Fluorescence: A theoretical study of electronic exications in (N, N)-bridged 4-aminobenzonitriles.
URL: http.//www.ijc.com/articles//1998v1/5
Internet J. Chem 1, 5, 1998.

98-902
Gottfried Grabner, Karl Rechthaler, and Gottfried Köhler.
A two-state model for the photophysics of 9,9’-bianthryl. A fluorescence, transient absorption and semiempirical study.
J. Phys. Chem. A: 102: 689-696, 1998.

98-903
Bernd Mayer and Steen Rasmussen.
Dynamical hierarchies and self-reproduction in chemical systems.
In: C. Adami, R. Belew, H. Kitano, and C. Taylor eds.
Artificial Life VI, pp. 123-129, MIT Press, 1998.

1997

97-001
Peter Schuster.
The role of neutral mutations in the evolution of RNA molecules.
In: Sándor Suhai, ed.
Theoretical and Computational Methods in Genome Research, pp. 287-302. Plenum Press, New York, 1997.

97-002
Peter Schuster.
Landscapes and molecular evolution.
Physica D., 107: 351-365, 1997.

97-003
Peter Schuster.
Molecular evolutionary biology.
In: W. H. Moos, M. R. Pavia, B. K. Kay and A. D. Ellington, eds.
Annual Reports in Combinatorial Chemistry and Molecular Diversity. Vol.I: 153-168. ESCOM Science Publ. Leiden, NL. 1997.

97-004
Peter Schuster.
Genotypes with phenotypes: Adventures in an RNA toy world.
Biophys. Chem., 66: 75-110, 1997.

97-005
Peter Schuster.
Ziele der chemischen Forschung von heute und morgen: Ein Aufbruch in das nächste Jahrhundert.
In: Peter Markl ed.
Chemie in Österreich, Wurzeln und Entwicklung.
100 Jahre Gesellschaft Österreichischer Chemiker, 1897-1997: pp.175-188, 1997.

97-006
Peter Schuster.
Chemie als Chance. Chemie im Spannungsfeld zwischen Zukunftshoffnung und gesellschaftlichen Ängsten.
Chemie, Heft 11: 12-13, 1997.

97-007
Peter Schuster, Peter F. Stadler, and Alexander Renner.
RNA Structures and folding. From conventional to new issues in structure predictions.
Current Opinion in Structural Biology, 7: 229-235, 1997.

97-008
Peter Schuster, Jaqueline Weber, Christian Reidys, and Walter Grüner.
Molecular evolutionary biology. From concepts to technology.
In: H. Flyvbjerg, J. Hertz, M. H. Jensen, O. G. Mouritsen and K. Sneppen, eds.
Physics of Biological Systems: From Molecules to Species, pp. 283-306. Springer, Berlin 1997.

97-009
Hans-Wolfgang Bellwinkel, and Peter Schuster.
Manfred Eigen. Ein Erbauer der Brücke vom Unbelebten zum Leben wird Siebzig.
Naturwissenschaftliche Rundschau, 50: 183-187, 1997.

97-010
Ulrike Göbel, Christian V. Forst, and Peter Schuster.
Structural Constraints and Neutrality in RNA.
In: Ralph Hofestädt, T. Lengauer, M. Löffler, and D. Schomburg, eds.
Bioinformatics. German Conference on Bioinformatics, GCB´96. Vol. 1278 Lecture Notes in Science, pp. 156-165, Berlin, 1997.

97-011
Stephan Kopp, Christian Reidys, and Peter Schuster.
Exploration of artificial landscapes based on random graphs.
In: Frank Schweitzer, ed.
Self-Organization of Complex Structures: From Individual to Collective Dynamics. Chapter 15: 179-185. Gordon & Breach, London, 1997.

97-012
Christian Reidys, Peter F. Stadler, and Peter Schuster.
Generic properties of combinatory maps. Neutral networks of RNA secondary structure.
Bull. Math. Biol., 59: 339-397, 1997.

97-013
Robert Hecht, Robert Happel, Peter Schuster, and Peter F. Stadler.
Autocatalytic networks with intermediates. I: Irreversible reactions.
Math. Biosciences., 140: 33-74, 1997.

97-014
Ricardo García-Pelayo, and Peter F. Stadler.
Correlation length, isotropy and meta-stable states.
Physica D., 107: 240-254 , 1997.

97-015
Jan Cupal, Christoph Flamm, Alexander Renner, and Peter F. Stadler.
Density of states, metastable states, and saddle points. Exploring the energy landscape of an RNA Molecule.
In: T. Gaasterland, P. Karp, K. Karplus, Ch. Ouzounis, Ch. Sander, A. Valencia, eds.
Proceedings of ISMB, 97: 88-91, AAAI Press, 1997.

97-016
Aderonke Babajide, Ivo L. Hofacker, Manfred J. Sippl, and Peter F. Stadler.
Neutral networks in protein space. A computational study based on knowledge-based potentials of mean force.
Folding & Design, 2: 261-269, 1997.

97-017
Susanne Rauscher, Christoph Flamm, Christian W. Mandl, Franz Xaver Heinz, and Peter F. Stadler.
Secondary structure of the 3'-non-coding region of flavivirus genomes comparative analysis of base pairing probabilities.
RNA, 3: 779-791, 1997.

97-018
Helmut Viernstein, Christian Stumpf, and Peter Wolschann.
Pharmaceutical and pharmacological properties of propanidid as cyclodextrin clathrat.
Pharmaceut. and Pharmacol. Letters, 7: 39-41, 1997.

97-019
Gerhard Buchbauer, Friederike Zechmeister-Machhart, Petra Weiß-Greiler, and Peter Wolschann.
Structure-activity relationships of sandalwood odorants: Synthesis and odour of methyl-ß-santalol.
Archiv der Pharmazie, 330: 112-114, 1997.

97-020
Birgit Bösel, Gerhard Buchbauer, Petra Weiß-Greiler, and Peter Wolschann.
Investigations of the conformational space in molecular similarity studies on sandalwood odour molecules. Conformational calculations on sandalwood odour XII.
Mh. Chem., 128: 609-618, 1997.

97-021
Gerhard Buchbauer, Alexander Hayn, Elisabeth Liedl, Petra Weiß-Greiler, and Peter Wolschann.
Conformational calculations on sandalwood odour XI. Molecular similarity of sandalwood odour compounds.
Flavour and Fragrance Journal, 12: 141-146, 1997.

97-022
Gerhard Buchbauer, Philippine Lebada, Lucia Wiesinger, Petra Weiß-Greiler, and Peter Wolschann.
On the odor of enantiomers of madrol.
Chirality, 9: 380-385, 1997.

97-023
Bernd Mayer, Giancarlo Marconi, Christian Th. Klein, Gottfried Köhler, and Peter Wolschann.
Structural analysis of host-guest systems. Methyl-substituted phenols in ß-cyclodextrin.
J. Incl. Phenomena, 29: 79-93, 1997.

97-024
Christian Th. Klein, and Bernd Mayer.
A Model for Pattern Formation in Gap-Junction Coupled Cells.
J. Theor. Biol., 186: 107-115, 1997.

97-025
Gottfried Grabner, Sandra Monti, Giancarlo Marconi, Bernd Mayer, Christian Th. Klein, and Gottfried Köhler.
Spectroscopic and photochemical study of inclusion complexes of dimethoxy-benzenes with beta-cyclodextrin.
J. Phys. Chem, 100, 51: 20068-20075, 1997.

97-026
Stephan Irle, and Hans Lischka.
Combined ab initio and density functional study on polaron to bipolaron transitions in oligophenyls and oligothiophenes.
J. Chem. Phys., 107: 3021, 1997.

97-027
Holger Dachsel, Hans Lischka, Ron Shepard, Jaroslaw Nieplocha, and Robert J. Harrison.
A massively parallel multireference configuration interaction program -the parallel COLUMBUS program.
J. Comp. Chem., 18: 430, 1997.

97-028
Werner Jakubetz, and Boon-Leong Lan.
A simulation of ultrafast state-selective IR-laser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces.
Chem. Phys., 217: 375-388, 1997.

97-029
Alfred Karpfen.
Case studies in cooperativity in hydrogen-bonded clusters and polymers.
In: S. Scheiner ed.
Molecular interactions - from van der Waals to strongly bound complexes, pp. 265-296. Wiley, Chichester, 1997.

97-030
Alfred Karpfen, Cheol-Ho Choi, and Miklos Kertesz.
Single bond torsional potentials in conjugated systems: A comparison of ab initio and density functional results.
J. Phys. Chem., A 101: 7426-7433, 1997.

97-031
Heike Lampert, Werner Mikenda, and Alfred Karpfen.
Molecular geometries and vibrational spectra of phenol, benzaldehyde and salicylaldehyde: Experimental versus quantum chemical data.
J. Phys. Chem., A 101: 2254-2263, 1997.

97-032
Heike Lampert, Werner Mikenda, Alfred Karpfen, and Hans-Peter Kählig.
NMR shieldings in benzoyl and 2-hydroxy-benzoyl compounds. Experimental versus GIAO calculated data.
J. Phys. Chem., A 101: 9610-9617, 1997.

97-033
Cheol-Ho Choi, Miklos Kertesz, and Alfred Karpfen.
Limitations of current density functional theories for the description of partial p-bond breaking.
Chem. Phys. Lett., 276: 266-268, 1997.

97-034
Cheol-Ho Choi, Miklos Kertesz, and Alfred Karpfen.
The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene.
J. Chem. Phys., 107: 6712-6721, 1997.

97-035
Cheol-Ho Choi, Miklos Kertesz, and Alfred Karpfen.
Do localized structures of [14] and [18] annulenes exist?
J. Amer. Chem. Soc., 119: 11994-11995, 1997.

97-036
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
On some properties of zero sets and critical sets of solutions to elliptic equations.
In: C. Greiner et al eds.
Partial differential equations and their applications.
Centre de Recherche Mathematiques Proceedings and Lecture Notes, 12: 167-177, 1997,

97-037
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
The nodal line of the second eigenfunction of the Laplacian in R² can be closed.
Duke Math. J., 90: 631-640, 1997.

97-038
Othmar Steinhauser, Hellfried Schreiber, Gerald Löffler, and Wolfgang Kleinert.
Parallel biomolecular simulation: Theory, algorithms and implementation simulation.
Practice and Theory, 5: 573, 1997.

97-039
Stefan Boresch, and Othmar Steinhauser.
Presumed and real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions.
Ber. Bunsenges. Phys. Chem., 101: 1019, 1997.

97-040
Gerald Löffler, Hellfried Schreiber, and Othmar Steinhauser.
Calculation of the dielectric properties of proteins in solution: Theory and a case study.
J. Mol. Bio., 270: 520, 1997.

97-041
Gerald Löffler, Hellfried Schreiber, and Othmar Steinhauser.
The frequency-dependent conductivity of a saturated solution of ZnBr₂ in water: A molecular dynamics simulation.
J. Chem. Phys., 107: 3135, 1997.

97-042
Susanne Lüdemann, Hellfried Schreiber, Roger Abseher, and Othmar Steinhauser.
The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation.
J. Am. Chem. Soc., 119: 4206, 1997.

97-901
Gottfried Köhler, Karl Rechthaler, Gottfried Grabner, Roman Luboratzki, Kinga Suwinska, and Krystyna Rotkiewicz.
The structure of cage amines: Models for twisted intramolecular charge transfer states.
J. Phys. Chem., A 101: 8518-8525, 1997.

97-902
Andreas B. J. Parusel, Friedrich W. Schneider, and Gottfried Köhler.
An ab initio study of the excited states of the organic fluorescence probe PRODAN.
J. Mol. Structure (THEOCHEM.), 398/399: 341-346, 1997.

97-903
Andreas B. J. Parusel, Rudolf Schamschule, and Gottfried Köhler.
A semiempirical study of the fluorescence properties of large charge transfer compounds: N,N-dimethylanilino-bis-pyrazolopyridine.
Ber. Bunsenges. Phys. Chem., 101, 12: 1836-1843, 1997.

97-904
Rudolf Schamschule , Andreas B. J. Parusel, and Gottfried Köhler.
Theoretical investigations of the ground-state properties of stereoselectively substituted aminobenzonitriles.
J. Mol. Structure (THEOCHEM.), 419: 161-167, 1997.

97-905
Karl Rechthaler, Krystyna Rotkiewicz, Gottfried Köhler, André Danel, Piotr Tomasik, and Karen Khatchatryan.
Emissive properties and intramolecular charge transfer of donor-acceptor pyrazoloquinoline derivatives.
J. Fluorescence, 7: 301-309, 1997.

97-906
Andreas B. J. Parusel, Rudolf Schamschule, Danuta Piorun, Karl Rechthaler, Agnieszkà Puchala, Danuta Rasala, Krystyna Rotkiewicz, and Gottfried Köhler.
Semiempirical characterization of substituted bis-pyrazolopyridines as new bulky electron donor-acceptor systems in their electronic ground state.
J. Mol. Struct. (THEOCHEM.), 421: 63-75, 1997.

97-907
Christian Krach, Gerhard Sontag, Sonja Solar, and Nikola Getoff.
HPLC with coulometric electrode array detection. Determination of o- and m-tyrosine for identification of irradiated shrimps.
Z. Lebensm. Unters. Forsch. A., 204: 417-419, 1997.

97-908
Susanne Schmid, Paul Krajnik, Ruth M. Quint, and Sonja Solar.
Degradation of monochlorophenols by gamma-irradiation.
Radiat. Phys. Chem., 50: 493-502, 1997.

97-909
Nikola Getoff.
CO2-utilization using ionizing radiation and UV-light. A review.
World Resource Review, 9: 86-100, 1997.

97-910
Nikola Getoff.
Peroxyl radicals in the treatment of waste solutions.
In:. z.B. Alfassi ed.
Peroxy Radicals, pp. 483-300. John Wiley & Sons, ltd. UK, 1997.

97-911
Nikola Getoff, Sonja Solar, and Ruth M. Quint.
One electron oxydation of mitomycin C and its corresponding peroxyl radicals. A steady-state and pulse radiolysis study.
Radiat. Phys. Chem., 50: 575-583, 1997.

97-912
Pierre Boule, Claire Richard, K. David-Oudjehani, and Gottfried Grabner.
Photochemical behaviour of halophenols in aqueous solution.
Proc. Indian. Acad. Sci. Chem. Sci., 109: 509-519, 1997.

97-913
Frank Scavarda, Florent Bonnichon, Claire Richard, and Gottfried Grabner.
Photoisomerization of 4-hydroxybenzonitrile into 4-hydroxybenzoisonitrile.
New J. Chem., 21: 1119-1128, 1997.

97-914
Bernd Mayer , Gottfried Köhler, and Steen Rasmussen.
The lattice molecular automation. A tool for computational nanotechnology.
In: IBC ed.
Proceedings of the Conference of Biological Approaches and Novel Applications for Molecular Nanotechnology.
IBC Library Series, 1997.

97-915
Bernd Mayer , Gottfried Köhler, and Steen Rasmussen.
Simulation and dynamics of entropy driven, molecular self-assembly processes.
Phys. Rev. E., 55/4: 4489-4499, 1997.

97-916
Giancarlo Marconi, and Bernd Mayer.
Conformational and circular dichroism studies on cyclodextrin inclusion complexes.
J. of Pure and Applied Chemistry, 69: 779-783, 1997.

97-917
Steen Rasmussen, Kai Nagel, Christopher L. Barett, Bernd Mayer, M. Winniberg Olesen, and Nils A. Baas.
Cellular automata applications.
In: The future of science has begun. Artificial life and artificial intelligence.
Fondazione Carlo Erba, Milano, 1997.

1996

96-001
Peter Schuster.
Evolutionary biotechnology. Theory, facts and perspectives.
Acta Biotechnologica, 16: 3-17, 1996.

96-002
Peter Schuster.
Evolutive Biotechnologie. Neue Synthesen von Biopolymeren nach dem Vorbild der Natur.
Chemie, Heft 3: 13-15, 1996.

96-003
Peter Schuster.
Wissenschaft heute - Technik von morgen: Zukunftsbewältigung durch Überwindung interdisziplinärer Schranken.
In: H. Pfusterschmid-Hardtenstein, ed.
Das Ganze und seine Teile.
Europäisches Forum Alpbach 1995, 26-40, Ibera Verlag, Wien, 1996.

96-004
Peter Schuster.
How does complexity arise in evolution?
Complexity, 2(1): 22-30, 1996.

96-005
Peter Schuster and Walter Grüner.
Molecular evolutionary biology. The concept and its applications to biotechnology.
In: Tormod Riste and David Sherrington, eds.
Physics of biomaterial: Fluctuations, selfassembly and evolution.
NATO ASI Series E: Vol. 322, Applied Sciences: 263-285, Kluwer Academic Publishers, Dordrecht, Holland, 1996.

96-006
Torbjörn Fagerström, Peter Jagers, Peter Schuster, and Eörs Szathmary.
Biologists put on mathematical glasses.
Science, 274: 2039-2040, 1996.

96-007
Peter F. Stadler.
Landscapes and their correlation functions.
J. Math. Chem., 20: 1-45, 1996.

96-008
Peter F. Stadler, and Peter Schuster.
Permanence of sparse autocatalytic networks.
Math. Biosciences, 131: 111-134, 1996.

96-009
Peter F. Stadler and Bärbel Krakhofer.
Local minima of p-spin models.
Rev. Mex. Fis., 42: 355-363, 1996.

96-010
Subbiah Baskaran, Peter F. Stadler, and Peter Schuster.
Approximate scaling properties of RNA free energy landscapes.
J. Theor.Biol., 181: 299-310, 1996.

96-011
Manfred Tacker, Peter F. Stadler, Erich G. Bornberg-Bauer, Ivo l. Hofacker, and Peter Schuster.
Algorithm independent properties of RNA secondary structure predictions.
Eur. Biophys. J., 25: 115-130, 1996.

96-012
Bärbel Krakhofer, and Peter F. Stadler.
Local minima in the graph bipartitioning problem.
Europhys. Lett., 34: 85-90, 1996.

96-013
Christian Reidys, and Peter F. Stadler.
Bio-molecular shapes and algebraic structures.
Computers Chem., 20: 85-94, 1996.

96-014
Robert Happel, and Peter F. Stadler.
Canonical approximation of fitness landscapes.
Complexity, 2: 53-58, 1996.

96-015
Robert Happel, Robert Hecht, and Peter F. Stadler.
Autocatalytic networks with translation.
Bull. Math. Biol., 58: 877-905, 1996.

96-016
Martijn A. Huynen, Peter Stadler, and Walter Fontana.
Smoothness within ruggedness: The role of neutrality in adaptation.
Proc. Natl. Acad. Sci. (USA), 93: 397-401, 1996.

96-017
Martijn A. Huynen, Alan S. Perelson, Wayne A. Vieira, and Peter F. Stadler.
Base pairing probabilities in a complete HIV-1 RNA.
J. Comp. Biol., 3: 253-274, 1996.

96-018
Andreas Schwienhorst, Andreas Schober, Rolf Guenther, and Peter F. Stadler.
Hamming-Chromatography.
Biodiversity, 1: 187-192, 1996.

96-019
Ivo L. Hofacker, Martijn A. Huynen, Peter F. Stadler, and Paul E. Stolorz.
Knowledge discovery in RNA sequence families of HIV using scalable computers.
In: Evangelos Simoudis, Jiawei Han, and Usama Fayyad eds.
Proceedings of the 2nd International Conference on Knowledge Discoveryand Data Mining, Portland, OR, pp. 20-25. AAAI Press, Menlo Park CA, 1996.

96-020
Jan Cupal, Ivo L. Hofacker, and Peter F. Stadler.
Dynamic programming algorithm for the density of states of RNA secondary structures.
In: R. Hofstädt, T. Lengauer, M. Löffler, D. Schomburg, eds.
Computer Science and Biology 96. Proceedings of the German Conference on Bioinformatics, pp. 184-186, Universität Leipzig, Germany, 1996.

96-021
Walter Grüner, Robert Giegerich, Dirk Strohthmann, Christian Reidys, Jaqueline Weber, Ivo l. Hofacker, Peter F. Stadler, and Peter Schuster.
Analysis of RNA sequence structure maps by exhaustive enumeration. I. Neutral networks.
Mh. Chemie, 127: 355-374, 1996.

96-022
Walter Grüner, Robert Giegerich, Dirk Strohthmann, Christian Reidys, Jaqueline Weber, Ivo l. Hofacker, Peter F. Stadler, and Peter Schuster.
Analysis of RNA sequence structure maps by exhaustive enumeration. II. Structures of neutral networks and shape space covering.
Mh. Chemie, 127: 375-389, 1996.

96-023
Walter Fontana, and Leo W. Buss.
The barrier of objects: From dynamical systems to bounded organizations.
In: J. Casti and A. Karlqvist eds.
Boundaries and Barriers, pp.: 56-116, Addison-Wesley, 1996.

96-023a
Walter Fontana, and Leo W. Buss.
"On organization".
In: "The future of science has begun: Approaches to artificial life and artificial intelligence".
Fondazione Carlo Erba, 4: 23-40, 1996.

96-024
Aleksander Koll, and Peter Wolschann.
Mannich bases as model compounds for intramolecular hydrogen bonding. I. Solid state structures and molecular calculations.
Monatsh. Chem., 127: 475-486, 1996.

96-025
Helmut Viernstein, and Peter Wolschann.
Complexation of diclobutrazol with cyclodextrins.
Scientia Pharmaceutica, 64: 687-694, 1996.

96-026
Christian Wolf, Petra Weiß-Greiler, Peter Wolschann, Gerhard Ecker, and Wilhelm Fleischhacker.
Synthesis and conformational analysis of a series of 1-benzopyrano[3,4-b][1,4]oxazines structurally related to cromakalim.
Pharmazie, 51: 836-839, 1996.

96-027
Gottfried Köhler, Helmut Vierstein, and Peter Wolschann.
Molecular calculations and thermodynamical considerations on the solubility enhancement of triflumizole by cyclodextrin complexation.
J. Incl. Phenomena, 25: 237-241, 1996.

96-028
Helmut Viernstein, Gottfried Köhler, and Peter Wolschann.
Influence of the ring shape of different cyclodextrins on complexation properties.
J. Incl. Phenomena, 25: 129-132, 1996.

96-029
Christian Th. Klein, Bernd Mayer, Gottfried Köhler, and Peter Wolschann.
Influence of solvation on the helix formation of poly-alanine studied by multiple annealing simulations.
J. Mol. Struct. (THEOCHEM.), 370: 33-43, 1996.

96-030
Gottfried Köhler, Gottfried Grabner, Christian Th. Klein, Giancarlo Marconi, Bernd Mayer, Sandra Monti, Karl Rechthaler, Krystyna Rotkiewicz, Helmut Viernstein, and Peter Wolschann.
Structure and spectroscopic properties of cyclodextrin inclusion complexes.
J. Incl. Phen. Mol. Recogn. Chem., 25, 1-3: 103-108, 1996.

96-030a
Gottfried Köhler, Gottfried Grabner, Christian Th. Klein, Giancarlo Marconi, Bernd Mayer, Sandra Monti, Karl Rechtaler, Krystyna Rotkiewicz, Helmut Viernstein, and Peter Wolschann.
Structure and spectroscopic properties of cyclodextrin inclusion complexes.
In:J. Szeijtli and L. Szente eds.
Proceedings of the 8th International Symposium on Cyclodextrins, pp.: 215-220. Kluwer Academic Publishers, 1996.

96-031
Giancarlo Marconi, Bernd Mayer, Christian Th. Klein, and Gottfried Köhler.
The structure of higher order C60-fullerene-gamma-cyclodextrin inclusion.
Chem. Phys. Lett., 260: 589-594, 1996.

96-032
Gottfried Grabner, Sandra Monti, Giancarlo Marconi, Bernd Mayer, Christian Th. Klein, and Gottfried Köhler.
Spectroscopic and Photochemical Study of Inclusion DComplexes of Dimethoxy-benzenes with cyclodextrins.
J. Phys. Chem., Vol100, No. 51: 20068-20075, 1996.

96-033
Stephan Irle, and Hans Lischka.
An ab initio study of the vibrational spectra of Li doped thiophene, bithiophene, benzene and biphenyl as model systems for (bi)polaronic defects.
J. Mol. Struct.(THEOCHEM.), 36: 415, 1996.

96-034
Stephan Irle, Hans Lischka, Karin Eichkorn, and Reinhart Ahlrichs.
Lithium- and chlorine-doped biphenyl dimers as models for interchain polarons and bipolarons - a density functional study .
Chem. Phys. Lett., 25: 7592, 1996.

96-035
Vudhichai Parasuk, Pavel Neogrady, Hans Lischka, and Miroslav Urban.
A comparison of variational and coupled cluster calculations of molecularproperties:The polarizabilities of BeO, 1Sigma(g+), and C2, 1Sigma(g+),3Pi(u), and 3Sigma(g-).
J. Phys. Chem., 100: 6325, 1996.

96-036
Werner Jakubetz, Boon-Leong Lan, and Vudhichai Parasuk.
Laser-induced ultrafast complete state-selective isomerization of hydrogen cyanide.
In: M. Chergui, ed.
Femtochemistry. Ultrafast chemical and physical processes in molecular systems, pp.: 86-89. World Scientific Publ., Singapore, 1996.

96-037
Alfred Karpfen.
Linear and cyclic clusters of hydrogen cyanide and cyanoacetylene: A comparative ab initio and density functional study on cooperative hydrogen bonding.
J. Phys. Chem., 100: 13474-13486, 1996.

96-038
Heike Lampert, Werner Mikenda, and Alfred Karpfen.
Intramolecular hydrogen bonding in 2-hydroxybenzoyl compounds: infrared spectra and quantum chemical calculations.
J. Phys. Chem., 100: 7418-7425, 1996.

96-039
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
Critical sets of smooth solutions to elliptic equations in dimension 3.
Indiana Univ. Math. J., 45: 15-37, 1996.

96-040
RogerAbseher, Hellfried Schreiber, and Othmar Steinhauser.
The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation.
Proteins, 25: 366-378, 1996.

96-041
Susanne Lüdemann, Hellfried Schreiber, Roger Abseher, and Othmar Steinhauser.
The influence of temperature on pairwise hydrophobic interactions of methane-like particles: A molecular dynamics study.
J. Chem. Phys., 104: 286, 1996.

96-042
Gerald Löffler, Thomas Mager, Christoph Gerner, Hellfried Schreiber, Helmut Bertagnolli, and Othmar Steinhauser.
Static and dynamic structural analysis of a saturated solution of ZnBr₂ in water: Anomalous X-ray diffraction and molecular dynamics simulations.
J. Chem. Phys., 104: 1, 1996.

96-901
Gottfried Köhler, Karl Rechthaler, Krystyna Rotkiewicz, and Wolfgang Rettig.
Formation and stabilization of twisted intramolecular charge transfer states in binary mixed solvents.
Chem. Phys., 207: 85-101, 1996.

96-902
Karl Rechthaler, and Gottfried Köhler.
Photophysical properties of a highly fluorescent push-pull-stilbene.
Chem. Phys. Lett., 250: 152-158, 1996.

96-903
Krystina Rotkiewicz, Karl Rechthaler, Agnieszka Puchala, Danuta Rasala, Stanislav Styrcz, and Gottfried Köhler.
Dual fluorescence and intramolecular charge transfer in a bulky electron donor-acceptor system. N,N-dimethylanilino substituted bis-pyrazolopyridine.
J. Photochem. Photobiol. 98 A: 15-19, 1996.

96-904
Ruth M. Quint, Hyong R. Park, Paul Krajnik, Sonja Solar, Nikola Getoff, and Knut Sehested.
Radiolysis and pulse radiolysis of aqueous 4-chloroanisole.
Radiat. Phys. Chem., 47: 835-845, 1996.

96-905
Nikola Getoff.
Radiation-induced degradation of water pollutants-state of the art.
Radiat. Phys. Chem., 47: 581-593, 1996.

96-906
Esther Schweinzer, Yulu Mao, Paul Krajnik, Nikola Getoff, and Hans Goldenberg.
Reduction of extracellular dehydroascorbic acid by K 562 cells.
Cell. Biochemistry and Function, 14: 27-31, 1996.

96-907
Bernd Mayer, and Gottfried Köhler.
Symmetry properties of cyclodextrins and its inclusion complexes. A case study.
J. Mol. Struct. (THEOCHEM.), 363: 217-227, 1996.

96-908
Bernd Mayer, and Steen Rasmussen.
The lattice molecular automation. A physico-chemical simulation system for constructive molecular dynamics.
Int. Journ. Mod. Physics C, 9: 157-178, 1996.

1995

95-001
Peter Schuster.
Minimal properties for evolutionary optimization.
In: John L. Casti and Andreas Karlqvist, eds.
Cooperation and conflict in general evolutionary processes.
pp. 359-382, John Wiley & Sons, Inc., New York, 1995. a

95-002
Peter Schuster.
How to search for RNA structures. Theoretical concepts in evolutionary biotechnology.
J. Biotechnol., 41: 239-257, 1995.

95-003
Peter Schuster.
Biotechnische Anwendungen der molekularen Evolutionsbiologie.
Nova Acta Leopoldina NF, 71, No. 293: 59-63, 1995.

95-003a
Peter Schuster.
Neue Wege zu maßgeschneiderten Biomolekülen.
In: Moleküle nach Maß in der modernen Biotechnologie, pp. 10-17.
Projektträger Biologie, Energie, Ökologie des Bundesministeriums für Bildung, Wissenschaft, Forschung und Technologie (Hrsg.). Druckhaus Schöneweide GmbH, Berlin, 1995.

95-004
Peter Schuster.
Artificial life and molecular evolutionary biology.
In: Federico Moran, Alvaro Moreno, Juan J. Merelo, and Pablo Chacon, eds.
Advances in artificial life.
Proceedings of Third European Conference on Artificial Life, Canada 1995. Lecture Notes in Artificial Intelligence. Vol. 929: 3-19.
Springer-Verlag, Berlin, 1995.

95-005
Peter Schuster, Pauline Hogeweg, Alexander von Gabain, and Esteban Domingo.
Molecular evolution and biotechnology.
Contract Study No. PSS 0884. European Commission, DG XII, Brussels, 1995.

95-006
Paul E. Philipson, and Peter Schuster.
Map dynamics of reproduction.
Int. J. of Bifurcation and Chaos, 5: 381-396, 1995.

95-007
Thomas Wiehe, Ellen Baake, and Peter Schuster.
Error propagation in reproduction of diploid organisms. A case study in single peaked landscapes.
J. Theor. Biol., 177: 1-15, 1995.

95-008
Christof K. Biebricher, Grégoire Nicolis, and Peter Schuster.
Self-organization in the physico-chemical and life sciences.
Contract Study No. PSS 0396, Report EUR 16546. European Commission, DG XII, Brussels, 1995.

95-009
Peter F. Stadler, Wolfgang Schnabl, Christian Forst, and Peter Schuster.
Dynamics of small autocatalytic reaction networks. II. Replication, mutation and catalysis.
Bull. Math. Biol., 57: 21-61, 1995.

95-010
Peter F. Stadler.
Random walks and orthogonal functions associated with highly symmetric graphs.
Discr. Math., 145: 229-238, 1995.

95-011
Peter F. Stadler.
Towards a theory of landscapes.
In: R. Lopéz-Peña, R. Capovilla, R. García-Pelayo, H. Waelbroeck, and F. Zertuche, eds.
Complex systems and binary networks .
Proceeding of the Guanajuato Lectures, 1995, pp. 77-163, Springer-Verlag, Berlin, New York, 1995.

95-012
Peter F. Stadler.
RNA: Genotype and phenotype.
In: J. Chela-Flores, M. Chadha, A. Negron-Mendoza, T. Oshima, eds.
Chemical evolution: Self-organization of the macromolecules of life.
Proceedings of the Second Trieste Conference on Chemical Evolution, 25.-29. October 1993, pp. 159-176, Deepak 1995.

95-013
Catherine A. Macken, and Peter F. Stadler.
Evolution on fitness landscapes.
In: L. Nadel and D. L.Stein, eds.
1993 Lectures in complex systems.
Santa Fe Institute Studies in the Sciences of Complexity. Vol. VI: 43-86.
Addison-Wesley, Reading MA, 1995.

95-014
Manfred Tacker, and Peter F. Stadler.
RNA: Genotype and phenotype.
In: L. Nadel and D. L.Stein, eds.
1993 Lectures in complex systems.
Santa Fe Institute Studies in the Sciences of Complexity.Vol. VI: 579-589, Addison-Wesley, Reading MA, 1995.

95-015
Gerhard Buchbauer, Philippine Lebada, Helmut Spreitzer, and PeterWolschann.
Structure-odor relationships of sandalwood odorants: Synthesis of (Z)-7-oxa-ß-santalol.
Liebigs Annalen, pp. 1693-1696, 1995.

95-016
Christian Th. Klein, and Friedrich F. Seelig.
Turing structures in a system with regulated gap-junctions.
Biosystems, 35: 15-23, 1995.

95-017
Gerhard Buchbauer, Helmut Spreitzer, Barbara Öckher, Claudia Pretterklieber, Iris Piringer, and Peter Wolschann.
Synthese und Geruch von (Z)-Dehydro-homo-ß-Santalol.
Monatsh. Chem., 126: 467-472, 1995.

95-018
Robert J. Gdanitz, and Robert Röhse.
A Formulation of Multiple-Reference CI with Terms Linear in the Interelectronic Distances II. An Alternative Ansatz.
International Journal of Quantum Chemistry, Vol. 55, 147-150, 1995.

95-019
Hans Lischka, Holger Dachsel, Ron Shepard and Robert Harrison.
The parallelization of a general ab initio multireference configuration interaction program-the COLUMBUS program system.
In: Timothy G. Mattson, ed.
ACS Symposium Series 592, Parallel Computing in Computational Chemistry, "American Chemical Society", Washington, DC, 1995.

95-020
Martina Bittererova, Hans Lischka, and Stanislav Biskupic.
Ab initio calculation of stationary points for the ground and the first excited state of HCO.
Intern. J. Quant. Chem., 55: 261-268, 1995.

95-021
Stephan Irle, and Hans Lischka.
An ab initio investigation of the charge-transfer complexes of alkali atoms with oligo(a,a')thiophenes and oligoparaphenylenes - a model calculation on polaronic and bipolaronic defect structures.
J. Chem. Phys., 103: 1508-1522, 1995.

95-022
Ivan Cernusak, and Hans Lischka.
Isomerization of cyanoborane anion.
Chem. Phys. Lett., 241: 261-266, 1995.

95-023
Holger Dachsel, and Hans Lischka.
An efficient data compression method for the davidson subspace diagonalizationscheme.
Theor. Chim. Acta, 92: 339-349, 1995.

95-024
Christoph Ehrendorfer, and Alfred Karpfen.
Theoretical investigations on positive bipolaronic defects in oligothiophenes:Structures and vibrational spectra of doubly charged 2,2'-bithiophene and 2,2':5',2'-terthiophene.
Vib. Spectrosc., 8: 293-303, 1995.

95-025
Christoph Ehrendorfer, and Alfred Karpfen.
Trends in the C-C force constants in oligothiophenes: A quantum chemical study.
J. Mol. Struct., 349: 417-420, 1995.

95-026
Christoph Ehrendorfer, and Alfred Karpfen.
Theoretical vibrational spectra of a bipolaronic defect in oligothiophenes andin poly-thiophene: A combined semiempirical and ab initio study.
J. Phys. Chem., 99: 5341-5353, 1995.

95-027
Christoph Ehrendorfer, and Alfred Karpfen.
Shorter bipolarons in oligo-(p-phenyls) and in poly-(p-phenylene): An ab initio SCF study.
J. Phys. Chem., 99: 10196-10200, 1995.

95-028
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
Interior estimates for solutions of Schrödinger equations and the regularity of nodal sets.
Commun. in Partial Differential Equations, 20: 1241-1273, 1995.

95-029
Othmar Steinhauser.
Biomolecular simulation.
In: F. Breitenecker and I. Husinsky, eds.
Eurosim, 95: 1, 1995.

95-030
Roger Abseher, Susanne Lüdemann, Hellfried Schreiber, and Othmar Steinhauser.
NMR cross-relaxation investigated by molecular dynamics simulation: A case study of ubiquitin in solution.
J. Mol. Biol., 249: 604, 1995.

95-031
Gottfried Köhler, Helga Martinek, Waraporn Parasuk, Karl Rechthaler, and Peter Wolschann.
The influence of cyclodextrin complexation on proton transfer in piperidino-methyl-2-naphthol
Monatsh. Chem., 126: 299-301, 1995.

95-032
Bernd Mayer, Christian Klein, Gottfried Köhler, Karin Mraz, Sybille Reiter, Helmut Viernstein, and Peter Wolschann.
Solubility and molecular modeling of triflumizole beta-cyclodextrin inclusion complexes.
J. of Incl. Phen. Mol. Recogn. Chem., 22: 15-32, 1995.

95-901
Giancarlo Marconi, Sandra Monti, Bernd Mayer, and Gottfried Köhler.
Circular dichroism of methylated phenols included in ß-cyclodextrin: an experimental and theoretical study.
J. Phys. Chem., 99: 3943, 1995.

95-902
Galina Moger, Gottfried Köhler, and Nikola Getoff.
Enhanced photochemical degradation of the haematoporphyrin dication by red light irradiation in a lipid-like environment.
J. Photochem. Photobiol. B: Biology, 99: 1, 1995.

95-903
Sonja Solar, Nikola Getoff, Jerzy Holcman, and Knut Sehested.
Radical anions of chlorinated benzaldehydes in aqueous solution.
J. Phys. Chem., 99: 9425-9429, 1995.

95-904
Matthias W. Haenel, Udo-Burckhard Richter, Sonja Solar, and Nikola Getoff.
Radiation-induced C-C bond cleavage in 1,2-diarylethanes as model compounds of coal.
Part 3. Pulse and steady-state radiolysis of 1,2-di(9-anthryl)ethane in organic solvents.
Z. Naturforsch., 50b: 303-311, 1995.

95-905
Irmgard Bernwieser, Gerhard Sontag, Sonja Solar, Ruth M. Quint, Paul Krajnik, and Nikola Getoff.
Nachweis der Bestrahlung von Hühnerfleisch durch Bestimmung von o- und m-Tyrosin mit HPLC und Elektroden Array Detektor.
Ernährung/Nutrion, 19: 159-162, 1995.

95-906
Paul Krajnik, Ruth M. Quint, Sonja Solar, Nikola Getoff, and Gerhard Sontag.
Influence of temperature and oxygen concentration on the radiation induced oxidation of phenylalanine.
Z. Naturforsch., 50a: 864-870, 1995.

95-907
Nikola Getoff.
Generation of O by microwave discharge and some characteristic reactions: A short review.
Radiat. Phys. Chem., 45: 609-614, 1995.

95-908
Nikola Getoff, and Sonja Solar.
Radiation-induced formation of haematoporphyrintransients in aqueous solution. A pulse radiolysis study.
Int. J. Radiat. Biol., 67: 619-626, 1995.

95-909
Tsvetan G. Gantchev, Gottfried Grabner, Elka Keskinova, Dimitri Angelov, and Johan E. van Lier.
Hematoporphyrin-sensitized degradation of desoxyribose and DNA in high intensity near-U.V. picosecond pulsed laser photolysis.
Radiat. Phys. Chem., 45: 111-119, 1995.

1994

94-001
Peter Schuster.
How do RNA molecules and viruses explore their world?
In: George A. Cowan, David Pines, and David Meltzer, eds.
Complexity: Metamorphs, models and reality.
Santa Fe Institut Studies in the Sciences of Complexity, Vol. XIX: 383-418,Addison-Wesley, Reading, M., 1994.

94-002
Peter Schuster.
Extended molecular evolutionary biology: Artificial life bridging the gap between chemistry and biology.
Artificial life, 1: 39-60, 1994.

94-002a
Peter Schuster.
Extended molecular evolutionary biology: Artificial life bridging the gap between chemistry and biology.
In: Steffen Schulze-Kremer, ed.
Advances in Molecular Bioinformatics, pp. 223-246, IOS Press, Amsterdam, 1994.

94-003
Peter Schuster.
Molekulare Evolution an der Schwelle zwischen Chemie und Biologie.
In: Wolfgang Wieser ed.
Die Evolution der Evolutionstheorie, pp. 49-76.
Spektrum Akademischer Verlag, Heidelberg, Germany, 1994.

94-004
Peter Schuster.
Moleküle nach Maß. Biotechnische Anwendungen der molekularen Evolutionsbiologie.
Chemie heute. Vol. 1994/95: 54-59, 1994.

94-005
Peter Schuster.
Sequenz, Struktur und Funktion von Biopolymeren.
In: Forschung und wissenschaftliches Rechnen.
Beiträge anläßlich des 10. EDV-Benützertreffens der Max-Planck-Gesellschaft in Göttingen, November 1993. Vol. I/94, pp. 13-28, München, 1994.

94-006
Peter Schuster, and Peter F. Stadler.
Landscapes: Complex optimization problems and biopolymerstructures.
Computers and Chemistry, 18: 295-324, 1994.

94-007
Peter Schuster, Walter Fontana, Peter F. Stadler, and Ivo. L. Hofacker.
From sequences to shapes and back: A case study in RNA secondary structures.
Proc. R. Soc. Lond. B., 255: 279-284, 1994.

94-008
Paul E. Phillipson, and Peter Schuster.
Map dynamics of autocatalytic networks and the replicator equations.
J. Math. Biol., 32: 545-562, 1994.

94-009
David Noever, Subbiah Baskaran, and Peter Schuster.
Understanding genetic algorithm dynamics using harvesting strategies.
Physica D., 79: 132-145, 1994.

94-010
Peter F. Stadler, Peter Schuster, and Alan S. Perelson.
Immune networks modeled by replicator equations.
J. Math. Biol., 33: 111-137, 1994.

94-011
Peter F. Stadler.
Linear operators on correlated landscapes.
J. Phys. I France, 4: 681-696, 1994.

94-012
Peter F. Stadler, and Juan Carlos Nuno.
The influence of mutation on autocatalytic reaction networks.
Math. Biosci., 122: 127-160, 1994.

94-013
Erich G. Bornberg-Bauer, and Peter F. Stadler.
Random structures and evolution of biopolymers.
Ber. Bunsenges., 98: 1128, 1994.

94-014
Walter Fontana.
Molekulare Semantik - Evolution zwischen Variation und Konstruktion.
In: V. Braitenberg and I. Hosp eds.
Evolution: Entwicklung und Organisation in der Natur.
rororo-science, 1 9706 5: 69-106, 1994.

94-015
Manfred Tacker, Walter Fontana, Peter F. Stadler, and Peter Schuster.
Statistics of RNA melting kinetics.
Eur. Biophys. J., 23: 29-38, 1994.

94-016
Ivo L. Hofacker, Walter Fontana, Peter F. Stadler, Sebastian Bonhoeffer, Manfred Tacker, and Peter Schuster.
Fast folding and comparison of RNA secondary structures.
Mh. Chemie, 125: 167-188, 1994.

94-017
Gerhard Buchbauer, and Peter Wolschann.
Molecular Modeling an Riechstoffmolekülen.
Eurocosmetics, 4: 46-50, 1994.

94-018
Helmut Viernstein, Sybille Reiter, and Peter Wolschann.
Solubility enhancement of triflumizole by host-guest interaction with ß-cyclodextrin.
Monatsh. Chem,. 125: 681-689, 1994.

94-019
Gerhard Buchbauer, Andrea Neumann, Ursula Siebenheitl, Petra Weiß, and Peter Wolschann.
Structure-activity-relationship of some exo-isocamphanylcyclohexanols.Conformational calculations on sandalwood odour IX.
Monatsh. Chem., 125: 747-752, 1994.

94-020
Gerhard Buchbauer, Hermann Kalchhauser, Peter Wolschann, MohammedYahiaoui, and Driss Zakarya.
On the odour shift from bitter almond odour to cinnamic-floral notes.
Monatsh. Chem., 125: 1091-1099, 1994.

94-021
Gerhard Buchbauer, Alexander Hillisch, Karin Mraz, and Peter Wolschann.
Conformational parameters of the sandalwood. Odour activity. Conformational calculations on sandalwood odour XI.
Helv. Chim. Acta, 77: 2286-2296, 1994.

94-022
Hyong R. Park, Bernd Mayer, Peter Wolschann, and Gottfried Köhler.
Excited state proton transfer in 2-naphthol inclusion complexes with cyclodextrins.
J. Phys. Chem., 98: 6158-6166, 1994.

94-023
Werner Jakubetz, and Philip J. Kuntz.
The influence of barrier topography on the dynamics of the H + F2 reaction.
Chemical Physics, 179: 241-261, 1994.

94-024
Hans Lischka, Holger Dachsel, Ron Shepard, and Robert J. Harrison.
Parallel computing in quantum chemistry - message passing and beyond for a general ab initio program system.
In: W. Gentzsch and U. Harms, eds.
High-performance computing and networking.
Lecture Notes in Computer Science, Vol: 796: 203-209, Springer-Verlag, 1994.

94-025
Tom Kovar, and Hans Lischka.
Structure and harmonic vibrational frequencies of cyclopentadiene in the lowest singlet states.
J. Mol. Struct. (THEOCHEM.), 303: 71-82, 1994.

94-026
Martina Bittererova, Stanislav Biskupic, Hans Lischka, and Viliam Klimo.
Ab initio study of the potential curves for CO (X¹Σ⁺), CH (X²Π) and OH (X²Π).
Collect. Czech. Chem. Commun., 59: 1241-1250, 1994.

94-027
Pedro C. Gomez, Phil R. Bunker, Alfred Karpfen, and Hans Lischka.
An ab initio calculation of the low frequency vibrational energies of the HCl dimer.
J. Mol. Spectrosc., 166: 441-448, 1994.

94-028
Alfred Karpfen, and Oleg Yanovitskii.
Structure and vibrational spectra of neutral, protonated and deprotonated hydrogen bonded polymers: An ab initio SCF study on chain-like hydrogen fluoride clusters.
J. Mol. Struct. (THEOCHEM.), 307: 81-97, 1994.

94-029
Alfred Karpfen, and Oleg Yanovitskii.
Cooperativity in hydrogen bonded clusters: An improved ab initio SCF study on the structure and energetics of neutral, protonated and deprotonated chains and of neutral, cyclic hydrogen fluoride oligomers.
J. Mol. Struct. (THEOCHEM.), 314: 211-227, 1994.

94-030
Christoph Ehrendorfer, and Alfred Karpfen.
Ab initio studies on (CH₂)_n-bridged bithiophenes. Part 1. Structure and vibrational spectra of cyclopentabithiophene and dihydrobenzobithiophene.
J. Mol. Struct. (THEOCHEM.), 306: 123-137, 1994.

94-031
Christoph Ehrendorfer, and Alfred Karpfen.
Ab initio studies on (CH₂)_n-bridged bithiophenes.
Part 2. Structure and vibrational spectra of cycloheptabithiophene.
J. Mol. Struct., (THEOCHEM.), 306: 139-155, 1994.

94-032
Christoph Ehrendorfer, and Alfred Karpfen.
The spatial extension of a bipolaronic defect in oligothiophenes and in polythiophene: A combined semiempirical and ab initio study.
J. Phys. Chem., 98: 7492-7496, 1994.

94-033
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Hans Stremnitzer.
Local properities of coulombic wave functions.
Commun. Math. Phys., 163: 185-215, 1994.

94-034
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
Regularity of the nodal sets of solutions to Schrödinger equations.
In: M. Demuth et al ed.
Mathematical results in quantum mechanics. Int. Conf. in Blossin (Germany), May 1993.
Operator Theory: Advances and Application. Vol.70: 19-25. Birkhäuser, Basel, 1994.

94-035
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Nikolai Nadirashvili.
Interior Hölder estimates for solutions of Schrödinger equations and the regularity of nodal sets.
Journées Equations aux derivées partielles. Saint Jean de Monts, 30. Mai au 3. Juin 1994. Vol. XIII: 1-9, 1994.
Groupement de Recherche CNRS, no. 1151, 1994.

94-036
Roger Abseher, Susanne Lüdemann, Hellfried Schreiber, and Othmar Steinhauser.
The influence of molecular motion on the accuracy of NMR-derived distances.
J. Am. Chem. Soc., 16: 4006, 1994.

94-037
Gerald Löffler, Hellfried Schreiber, and Othmar Steinhauser.
Computer simulation as a tool to analyze neutron scattering experiments: Water at supercritical temperatures.
Ber. Bunsenges. Phys. Chem., 98: 1575, 1994.

94-901
Gottfried Köhler, Snezhana Bakalova, Nikola Getoff, Peter Nikolov, and Ilijana Timtcheva.
Radiationless Deactivation of 5-Amino-2-arvlindan-1.3-diones via intermolecular hydrogen bonds.
J. Photochem. Photobiol. A. Chem., 81: 73-77, 1994.

94-902
Karl Rechthaler, and Gottfried Köhler.
Excited state properties and deactivation pathways of 7-aminocoumarines.
Chem. Phys., 189: 99, 1994.

94-903
Christian Königstein, and Gottfried Köhler.
Origin of the high energy emission of the 1,1´-diethyl-2,2´-cyanine dye.
J. Phtotchem. Photobiol. A: Chemistry, 84: 245, 1994.

94-904
Yulu Mao, Gert Lubec, Nikola Getoff, Sonja Solar, and Ruth M. Quint.
The effect of homocystein thiolactone and its alpha -alkylated derivative on the survival of irradiated E. coli AB 1157.
Radiat. Phys. Chem., 44: 473-478, 1994.

94-905
Nikola Getoff.
Purification of drinking water by irradiation. A review.
Indian. Acad. Sci. (Chem. Sci.), 195: 373-391, 1994.

94-906
Nikola Getoff.
Possibilities on the radiation induced incorporation of CO₂ and CO in organic compounds.
Int. J. Hydrogen Energy, 19: 667-672, 1994.

94-907
Nikola Getoff.
Pulsradiolyse in der Strahlenbiologie.
Mitteilg. Österr. Ges. Mediz. Phys,. Nr. 3/94, pp. 10, 1994.

94-908
Nikola Getoff, Guo-Heng Li, Helmut Stockenhuber, and Konstantin Kochev.
Development of multilayer semiconductor electrodes based on silicon for H2-production.
Int. J. Hydrogen Energy, 19: 145-149, 1994.

94-909
Nikola Getoff, Alfred Ritter, Friedrich Schwörer, and Peter Bayer.
Steady-state and pulse radiolysis of triethylsilane in cyclohexane with product analysis.
Radiat. Phys. Chem., 44: 491-498, 1994.

94-910
Faten S. M. Abd El-Hameed, Paul Krajnik, and Nikola Getoff.
Flash photolysis studies on 4-chloranisole in aqueous solution.
Z. Naturforsch., 49: 515-521, 1994.

94-911
Hak-Jin Jung, and Nikola Getoff.
Photoinduced oxidation of methanol in aqueous solutions.
Z. Naturforsch., 49a: 617-622, 1994.

94-912
Alexandra Delipetar, and Nikola Getoff.
Strahlenchemische und strahlenbiologische Untersuchungen an Menadion.
Mitteilg. Österr. Ges. Mediz. Phys., Nr. 3/94, pp. 11, 1994.

94-913
Zorana Radak-Jovanovic, and Nikola Getoff.
Strahlenchemische und strahlenbiologische Untersuchungen an cis-Platin.
Mitteilg. Österr. Ges. Mediz. Phys., Nr. 3/94, pp. 12, 1994.

94-914
Gert Lubec, and Nikola Getoff.
Savin animal lives by tests on bacteria.
Amino Acids, 7, 113-115, 1994.

94-915
Gottfried Grabner, Claire Richard, and Gottfried Köhler.
Formation and reactivity of 4-oxocyclohexa-2,5-dienylidene in the photolysis of 4-chlorophenol in aqueous solution at ambient temperature.
J. Am. Chem. Soc., 116: 11470-11480, 1994.

94-916
Michael Neumann-Spallart, Claude Lévy-Clément, and Gottfried Grabner.
Fast annealing of II-VI compounds by pulsed laser irradiation.
J. Phys. D. Appl. Phys., 27: 407-413, 1994.

1993

93-001
Peter Schuster.
RNA based evolutionary optimization.
Origins of Life, 23: 373-391, 1993.

93-001a
Peter Schuster.
Evolution in an RNA world.
In: Cyril Ponnamperuma and Julian Chela-Flores, eds.
Chemical Evolution Series: I. Origin of Life, pp. 51-68. A. Deepak Publ. Hampton, VA 1993.

93-002
Peter Schuster.
Spiel und Spieltheorie in den Naturwissenschaften.
In: Ursula Baatz und Wolfgang Müller-Funk, eds.
Vom Ernst des Spiels.
Über Spiel und Spieltheorie, pp. 21-34. Dietrich Reimer Verlag, Berlin, 1993.

93-003
Peter F. Stadler, and Robert Happel.
The probability for permanence.
Math. Biosc., 113: 25-50, 1993.

93-004
Peter F. Stadler, and Walter Grüner.
Anisotropy in fitness landscapes.
J. Theor. Biol., 165: 373-388, 1993.

93-005
Peter F. Stadler, Walter Fontana, and John H. Miller.
Random catalitic reaction networks.
Physica D., 63: 378-392, 1993.

93-006
Edward D. Weinberger, and Peter F. Stadler.
Why some fitness landscapes are fractal.
J. Theor. Biol., 163: 255-275, 1993.

93-007
Sebastian Bonhoeffer, and Peter F. Stadler.
Error Thresholds on Correlated Fitness Landscapes.
J. Theor. Biol., 164: 359-372, 1993.

93-008
Sebastian Bonhoeffer, John S. McCaskill, Peter F. Stadler, and Peter Schuster.
RNA Multi-structure landscapes. A study based on temperature dependent partition functions.
Eur. Biophys. J., 22: 13-24, 1993.

93-009
Walter Fontana, Danielle A. M. Konings, Peter F. Stadler, and Peter Schuster.
Statistics of RNA secondary structures.
Biopolymeres, 33: 1389-1404, 1993.

93-010
Walter Fontana, Peter F. Stadler, Erich G. Bornberg-Bauer, Thomas Griesmacher,Ivo L. Hofacker, Manfred Tacker, Pedro Tarazona, Edward D. Weinberger, and Peter Schuster.
RNA folding and combinatory landscapes.
Phys. Rev. E., 47: 2083-2099, 1993.

93-011
Andrea Neumann, Petra Weiß, and Peter Wolschann.
A comparison of molecular surfaces of sandalwood odour molecules. Conformational calculations on sandalwood odour. VIII.
J. Molec. Struct., 296: 145-152, 1993.

93-012
Hyong R. Park, Bernd Mayer, Karl Rechthaler, Peter Wolschann, and Gottfried Köhler.
Proton dissociation and transfer in cyclodextrin inclusion complexes of 2-naphthol derivatives.
Photochem Photobiol., 57S: 27, 1993.

93-013
Matthias Schüler, Tom Kovar, Hans Lischka, Ron Shepard, and Robert J.Harrison.
A parallel implementation of the COLUMBUS multireference. Configuration interaction program.
Theor. Chim. Acta, 84: 489-509, 1993.

93-014
Werner Jakubetz, Elmar Kades, and Jörn Manz.
State-selective excication of molecules by means of optional ultrashort infrared laser pulses.
J. Phys. Chem. 97: 12609-12619, 1993.

93-015
Jonathan N. L. Connor, and Werner Jakubetz.
Orientation dependence of the F+H₂ and H+F₂ reactions using the line-of-centres modelwith angle-dependent collision diameters and barrier heights.
J. Chem. Soc. Faraday Trans., 89: 1481-1486, 1993.

93-016
Christoph Ehrendorfer, Alfred Karpfen, Peter Bäuerle, Helmut Neugebauer, and Adolf Neckel.
Vibrational spectra of endcapped thiophenes: A combined experimental and theoretical study.
J. Mol. Struct., 298: 65-86, 1993.

93-017
Othmar Steinhauser.
Computersimulation von Biomolekülen.
Pipeline, 10: 26, 1993.

93-018
Robert Gdanitz.
A formulation of multiple-reference CI with terms linear in the interelectronic distances.
Chem. Phys. Lett. 210: 1, 2, 3: 253-260, 1993

93-901
Gottfried Köhler, Gottfried Grabner, and Krystyna Rotkiewicz.
Nonradiative deactivation and triplet states in donor-aryl-acceptor compound (Dialkylaminobenzonitriles).
Chem. Phys., 173: 275-290, 1993.

93-902
Gottfried Köhler and Karl Rechthaler.
Solvent effects on excited state relaxation phenomena.
Pure & Appl. Chem., 65: 1647, 1993.

93-903
Pietro Bortolus, Gottfried Grabner, Gottfried Köhler, and Sandra Monti.
Photochemistry of cyclodextrin host-guest complexes.
Coord. Chem. Rev., 125: 261-268, 1993.

93-904
Julia Vágó, Laszlo Biczók, Gottfried Grabner, Gottfried Köhler, Ruth M. Quint,and Nikola Getoff.
On the photochemical decomposition of aromatic alpha-azohydroperoxides.
J. Photochem. Photobiol. A. Chemistry, 76: 69, 1993.

93-905
Sandra Monti, Gottfried Köhler, and Gottfried Grabner.
Photophysics and photochemistry of methylated phenols in ß-cyclodextrin inclusion complexes.
J. Phys. Chem., 97: 13011-13016, 1993.

93-906
Sonja Solar, Nikola Getoff, Matthias W. Haenel, and Udo-Burckhard Richter.
Radiation-induced C-C bond cleavage in 1,2-diarylethanes as model compounds of coal. Part 2. Pulse and steady-state radiolysis of 1,2-di(pyren-1-yl)ethane in tetrahydrofuren, dimethoxyethane and toluene in the presence of sodium dihydridobis(2-methoxyethoxy)-aluminate.
J. Chem. Soc. Faraday Trans., 89: 891-903, 1993.

93-907
Sonja Solar, Nikola Getoff, Knut Sehested, and Jerzy Holcman.
Pulse radiolysis of pyridine and methylpyridines in aqueous solution.
Radiat. Phys. Chem., 41: 825-834, 1993.

93-908
Sonja Solar, Nikola Getoff, and Knut Sehested.
Radicals originating from aqueous chlorinated aromatic compounds.
Abstracts of the Third Internat. Conf. On Chem. Kinetics, p. 177. Gaithersburg, Md., July 1993.

1992

92-001
Peter Schuster.
Complex optimization in an artificial RNA world.
In: Chris G. Langton, Charles Taylor, J. Doyne Farmer, and Steen Rasmussen, eds. Artificial life II.
Santa Fe Institute Studies in the Sciences of Complexity. Vol. X: 277-291. Addison-Wesley, Redwood City, (CA), 1992.

92-002
Peter Schuster.
Biological information. Its origin and processing.
In: Christoph Wassermann, Richard Kirby and Bernard Rordorf, eds.
The science and theology of information, pp. 45-57.
Editions Labor et Fides. Genf, Switzerland, 1992.

92-003
Peter F. Stadler, and Peter Schuster.
Mutation in autocatalytic reaction networks.
An analysis based on peturbation theory.
J. Math. Biol., 30: 597-632, 1992.

92-004
Hellfried Schreiber, Othmar Steinhauser, and Peter Schuster.
Parallel molecular dynamics of biomolecules.
Parallel Computing, 18: 557 - 573, 1992.

92-005
Peter F. Stadler.
The landscape of the travelling salesman problem.
Phys. Lett., 161: 337-344. pp.

92-006
Peter F. Stadler, and Robert Happel.
Correlation structure of the landscape of the graph-bipartitioning-problem.
J. Phys. A: Math. Gen., 25: 3103-3110, 1992.

92-007
Peter F. Stadler.
Correlation in landscapes of combinatorial optimization problems.
Europhys. Lett., 20: 479-482, 1992.

92-008
Armin Becker, Gerhard Buchbauer, Susanne Winiwarter, and Peter Wolschann.
A rapid method for molecular shape comparison of medium-sized molecules. conformational calculations on sandalwood odour IV.
Mh. Chem., 123: 405-416, 1992.

92-009
Gerhard Buchbauer, Susanne Winiwarter, and Peter Wolschann.
Surface comparisons of some odour molecules. Conformational calculations on sandalwood odour V.
J. Comp. Aid. Molec. Design., 6: 583-592, 1992.

92-010
Anton Beyer, Hermann Kalchhauser, and Peter Wolschann.
Molecular modeling on garuganin-I.
Mh. Chem., 123: 417-423, 1992.

92-011
Gerhard Buchbauer, Karin Leonhardsberger, Susanne Winiwarter, and Peter Wolschann.
Investigations on the molecular surface of selected sandalwood odour molecules and related structures. Conformational calculations on sandalwood odourants VI.
Helv. Chim. Acta, 75: 174-183, 1992.

92-012
Gerhard Buchbauer, Helmut Spreitzer, Helene Swatonek, and Peter Wolschann.
Absolute configuration and odour analysis of the enantiomeric tert.- butyl-bi- cyclo(4.4.0)decan-3-ols.
Tetrahedron Asymmetry, 3: 197-198, 1992.

92-013
Gottfried Köhler, Peter Wolschann, and Krystyna Rotkiewicz.
Solvent effects on intramolecular charge separation.
Proc. Indian Acad. Sci. (Chem. Sci.), 104: 197-207, 1992.

92-014
Gerhard Buchbauer, Alexander Stock, Petra Weiß, Susanne Winiwarter, and Peter Wolschann.
Some aspects of the molecular surface of sandalwood odour molecules. Conformational calculations on sandalwood odour VII.
Zeitschr. f. Naturforsch., 47b: 1759-1763, 1992.

92-015
Ron Shepard, Hans Lischka, Peter G. Szalay, Tom Kovar, and Markus Ernzerhof.
A general multireference configuration interaction gradient program.
J. Chem. Phys., 96: 2085-2098, 1992.

92-016
Manfred Kofranek, Hans Lischka, and Alfred Karpfen.
From butadiene to polyacetylene: An ab initio study on the vibrational spectra of polyenes.
J. Chem. Phys., 96: 982-996, 1992.

92-017
Manfred Kofranek, Tom Kovar, Hans Lischka, and Alfred Karpfen.
Ab initio studies on heterocyclic conjugated polymers: Structure and vibrational spectra of thiophene, oligothiophenes and polythiophene.
J. Mol. Struct. (THEOCHEM), 259: 181-198, 1992

92-018
Werner Jakubetz, Dimitri Sokolovski, Jonathan N. L. Connor, and George C. Schatz.
Comparison of quasi-classical and quantum dynamics for resonance scattering in the Cl+HCl -> ClH+Cl reaction.
J. Chem. Phys., 97: 6451-6459, 1992.

92-019
Manfred Kofranek, Tom Kovar, Alfred Karpfen, and Hans Lischka.
Ab initio studies on heterocyclic conjugated polymers: Structure and vibrational spectra of pyrrole, oligopyrroles and polypyrrole.
J. Chem. Phys., 96: 4464-4473, 1992.

92-020
Per Jensen, Phil R. Bunker, Vidana C. Epa, and Alfred Karpfen.
An ab initio calculation of the fundamental and overtone HCl stretching vibrations for the HCl dimer.
J. Mol. Spectrosc., 151: 384-395, 1992.

92-021
Manfred Kofranek, Alfred Karpfen, and Hans Lischka.
Gauche- versus s-cis butadiene revisited: a molecular dynamics simulation of the Ar matrix effect.
m. Phys. Lett.189: 281-286, 1992.

92-022
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof, and Hans Stremnitzer.
Electronic wave functions near coalescence points.
Phys. Rev. Lett., 68: 3857-3860, 1992.

92-023
Thomas Hoffmann-Ostenhof, and Maria Hoffmann-Ostenhof.
Local properties of solutions of Schrödinger equations.
Commun. in Partial Differential Equations, 17: 491-552, 1992.

92-024
Stefan Boresch, Hellfried Schreiber, and Othmar Steinhauser.
Parallel molecular dynamics of liquids.
ACPC-Report, 1992.

92-025
Hellfried Schreiber, and Othmar Steinhauser.
Cut-off size does strongly influence molecular dynamics. Results on solvated polypeptides.
Biochemistry, 31: 5856, 1992.

92-026
Hellfried Schreiber, and Othmar Steinhauser.
Molecular dynamics studies of solvated polypeptides: Why the cut-off scheme does not work.
Chem. Phys., 168: 75, 1992.

92-027
Hellfried Schreiber, and Othmar Steinhauser.
Taming cut-off induced artifacts in molecular dynamics. Studies of solvated polypeptides: The reaction field method.
J. Mol. Bio., 228: 909, 1992.

92-901
Sonja Solar, and Ruth M. Quint.
Radiation induced primary processes of aqueous 8-methoxy-psoralen. A pulse radiolysis study.
Radiat. Phys. Chem. , 39: 171-175, 1992.

92-902
Nikola Getoff, Alfred Ritter, Friedrich Schwörer, and Peter Bayer.
Pulse radiolysis and product analysis of triethylsilane in methanol.
Radiat. Phys. Chem., 39: 177-182, 1992.

92-903
Nikola Getoff.
Radiation processing of industrial waste: Liquid and solid.
IAEA-SM, 325/167: 49-50, Vienna, 1992.

92-904
Nikola Getoff.
Radiation-induced degradation of phenol and chlorinated phenols in water.
IAEA-SM, 326/167: 198-200, Vienna, 1992.

92-905
Nikola Getoff.
Pulse radiolysis of aromatic amino acids-state of the art.
Amino Acids, 2: 195-214, 1992.

92-906
Nikola Getoff, Guo-Heng Li, Helmut Stockenhuber, and Konstantin Kotchev.
Developments of multilayer semiconductor-electrodes on silicon basis for H2-production.
Hydrogen Energy Progess., Vol. IX: 537-544, Paris, France, 1992.

92-907
Hyong R. Park, and Nikola Getoff.
Radiolysis of aqueous ethanol in the presence of CO.
Z. Naturforsch., 47a: 985-991, 1992.

92-908
Ilijana Timtcheva, Nikola Getoff, Peter Nikolov, and Ruth M. Quint.
Photochemical properities of 2-aryl-3 imino-1-indones.
Z. Naturforsch., 47a: 1243-1247, 1992.

92-909
Pierre Boule, Annie Rossi, Jean-Francois Pilichowski, and Gottfried Grabner.
Photoreactivity if hydroquinone in aqueous solution.
New J. Chem., 16: 1053-1962, 1992.

1991

91-001
P.Schuster.
Biological Information. Its Origin and Processing.
In: C.Wassermann, R.Kirby, and B.Rordorff, eds.
The Science and Theology of Information Publications de la Faculte de Theologie de l`Universite de Geneve, pp.45-57, 1990

91-002
P.Schuster.
Katastrophen, Chaos und Fraktale. Modeströmungen in der Wissenschaft oder Beginn eines Verstehens komplexer Systeme?
In: U.Niedersen, ed.
Selbstorganisation. Jahrbuch für Komplexität in den Natur-, Sozial- und Geisteswissenschaften. Duncker & Humblot, pp.203-219, Berlin 1990

91-003
P.Schuster.
Optimization of RNA Structure and Properties.
In: A.Perelson, and S.Kauffman, eds.
Molecular Evolution on Rugged Landscapes. SFI Studies in the Sciences of Complexity, Vol.IX, pp.47-71, 1991

91-004
P.Schuster.
Dynamics of Autocatalytic Reaction Networks.
In: A.Perelson, and S.Kauffman, eds.
Molecular Evolution on Rugged Landscapes SFI Studies in the Sciences of Complexity, Vol.IX, pp.281-306, 1991

91-005
P.Schuster.
Optimization Dynamics on Value Landscapes - Modelling Molecular Evolution.
In: O.T.Solbrig, and G.Nicolis, eds.
Perspectives on Biological Complexity IUBS Monograph Series No.6, IUBS pp.115-161, Paris 1991

91-006
W.Schnabl, P.F.Stadler, Ch.Forst, and P.Schuster.
Full Characterization of a Strange Attractor. Chaotic Dynamics in Low-Dimensional Replicator Systems.
Physica D 48: 65-90, 1991

91-007
W.Fontana, Th.Griesmacher, W.Schnabl, P.F.Stadler, and P.Schuster.
Statistics of Landscapes Based on Free Energies, Replication and Degradation Rate Constants of RNA Secondary Structures.
Mh.Chem. 122: 795-819, 1991

91-008
P.F.Stadler.
Dynamics of Autocatalytic Reaction Networks IV: Inhomogeneous Replicator Networks.
BioSystems 26: 1-19, 1991

91-009
P.F.Stadler.
Complementary Replication.
Math.Biosciences 107: 83-109, 1991

91-010
B.M.R.Stadler, and P.F.Stadler.
Small Autocatalytic Reaction Networks - III. Monotone Growth Functions.
Bull.Math.Biol. 53: 469-485, 1991

91-011
A.Karpfen, I.J.Kurnig, and H.Lischka.
Ab Initio Studies on Hydrogen Bonded Trimers. Structure and Vibrational Spectra of HCN(HF)₂ and (HCN)₂HF.
J.Mol.Struct.(Theochem) 227: 337-350, 1991

91-012
P.Birner, H.-J.Köhler, A.Karpfen, and H.Lischka.
An Ab Initio Study of the Polysulfane Series H₂S₂ to H₂S₆ and of S₈.
J.Mol.Struct.(Theochem) 226: 223-239, 1991

91-013
A.Karpfen, and M.Kertesz.
Energetics and Geometry of Conducting Polymers from Oligomers.
J.Phys.Chem. 95: 7680-7681, 1991

91-014
A.Karpfen, P.R.Bunker, and P.Jensen.
An Ab Initio Study of the Hydrogen Chloride Dimer: The Potential Energy Surface and the Characterization of the Stationary Points.
Chem.Phys. 149: 299-309, 1991

91-015
P.Jensen, P.R.Bunker, and A.Karpfen.
An Ab Initio Calculation of the Nonadiabatic Effect on the Tunneling Splitting in Vibrationally excited (HF)₂.
J.Mol.Scpetroscopy 148: 385-390, 1991

91-016
P.R.Bunker, P.Jensen, and A.Karpfen.
The v₁ + v₂ = 4 Stretching Overtones of the HF Dimer, and H-Atom Exchange.
J.Mol.Spectroscopy 149: 512-518, 1991

91-017
P.R.Bunker, V.C.Epa, P.Jensen, and A.Karpfen.
An Analytical ab Initio Potential Surface and the Calculated Tunneling Energies for the HCl Dimer.
J.Mol.Spectroscopy 146: 200--219, 1991

91-018
P.Jensen, M.D.Marshall, P.R.Bunker, and A.Karpfen.
An Ab Initio Close-Coupling Calculation of the Lower Vibrational Energies of the HCL Dimer.
Chem.Phys.Lett. 180: 594--600, 1991

91-019
W.Jakubetz.
Computer Simulation of Chemical Elementary Processes and the Potential Surface Problem.
In: T.D.Märk, and R.W.Schrittwieser, eds.
Elementary Processes in Clusters, Lasers and Plasmas, Proceedings of the Pentagonale Workshop 1991 Studia, pp.41-48, Innsbruck 1991

91-020
O.Steinhauser, S.Boresch, and H.Bertagnolli.
Nonadditive Monte Carlo Simulation of Liquid Hydrogen Chloride Difference Algorithm and Parallel Implementation.
Molecular Simulation 7: 71-88, 1991

91-021
M.Hoffmann-Ostenhof, and T.Hoffmann-Ostenhof.
On Nodes of Local Solutions to Schrödinger Equations.
In: J.A.Goldstein, F.Kappel, and W.Schappacher, eds.
Differential Equations with Applications in Biology, Physics and Engineering, Lecture Notes in Pure and Applied Mathematics, Vol.133, M.Dekker, pp.201-208, New York 1991

91-022
M.Hoffmann-Ostenhof, and T.Hoffmann-Ostenhof.
Bounds on the Order of Vanishing of Eigenfunctions of Schrödinger Operators.
In:J.Dittrich, and P.Exner, eds.
Rigorous Results in Quantum Dynamics, World Scientific, pp.37-40, Singapore 1991

90-023
A.Karpfen, H.Lischka, and P.R.Bunker.
The Dimers (HF)₂ and (HCl)₂: A Comparison of Ab Initio Potential Energy Surfaces.
In: N.Halberstadt und K.Janda, eds.
Dynamics of Polyatomic van der Waals Molecules, NATO-ASI Series B227, Plenum, London, p.431-440, New York 1991

1990

90-001
A.Beyer, and P.Schuster.
Internal Dynamics of Flexible Molecules: Cyclohexane.
Mh.Chem. 121: 339-349, 1990

90-002
P.F.Stadler, and P.Schuster.
Dynamics of Small Autocatalytic Reaction Networks I: Bifurcations, Permanence and Exclusion.
Bull.Math.Biol. 52: 485-508, 1990

90-003
I.J.Kurnig, H.Lischka, and A.Karpfen.
Linear versus Cyclic (HCN)₃. An Ab Initio Study on Structure, Vibrational Spectra and Infrared Intensities.
J.Chem.Phys. 92: 2469-2477, 1990

90-004
P.G.Szalay, A.Karpfen, and H.Lischka.
Geometry Relaxation Effects in the 1¹B₂ and 2¹A₁ States of cis-1,3-Butadiene.
Chem.Phys. 141 355-363, 1990

90-005
P.R.Bunker, P.Jensen, A.Karpfen, M.Kofranek, and H.Lischka.
An ab Initio Calculation of the Stretching Energies for the HF Dimer.
J.Chem.Phys. 92: 7432-7440, 1990

90-006
P.Jensen, P.R.Bunker, A.Karpfen, M.Kofranek, and H.Lischka.
An Ab Initio Calculation of the Intramolecular Stretching Spectra for the HF Dimer and its S-substituted Isotopic Species.
J.Chem.Phys. 93: 6266-6280, 1990

90-007
P.G.Szalay, A.G.Császár, G.Fogarasi, A.Karpfen, and H.Lischka.
An Ab Initio Study of the Structure and Vibrational Spectroscopy of Allyl and 1,4-Pentadienyl Radicals.
J.Chem.Phys. 93: 1246-1256, 1990

90-008
M.Kofranek, A.Karpfen, and H.Lischka.
A Scaled Force Field for Polyenes Derived from Ab Initio Calculations Including Electron Correlation Effects.
Intern.J.Quant.Chem.Symp. 24: 721-732, 1990

90-009
A.Karpfen, I.J.Kurnig, S.-K.Rhee, and H.Lischka.
Ab Initio Studies on Hydrogen Bonded Trimers: (HCN)_x (HF)_3-x, x: 0,1,2,3
In: N.Halberstadt, K.C.Janda, eds.
Dynamics of Polyatomic Van der Waals Complexes 1990 Plenum Press, pp.441-448, New York 1990

90-010
A.Karpfen.
Ab initio Studies on Hydrogen Bonded Clusters: Structure and Vibrational Spectra of cyclic (HF)_n Complexes.
Intern.J.Quant.Chem.Symp. 24: 129-140, 1990

90-011
C.X.Cui, A.Karpfen, and M.Kertesz.
Torsional Potentials of Simple Polysilane Derivatives.
Macromolecules 23: 3302-3308, 1990

90-012
W.Jakubetz, J.Manz, and H.-J.Schreier.
Theory of Optimal Laser Pulses for Selective Transitions between Molecular Eigenstates.
Chem.Phys.Lett. 165: 100-106, 1990

90-013
W.Jakubetz, B.Just, J.Manz, and H.-J.Schreier.
Mechanisms of State-selective Vibrational Excitation by an Infrared Picosecond Laser Pulse Studies by Two Techniques: Fast Fourier Transform Propagation of a Molecular Wave Packet and Analysis of the Corresponding Vibrational Transitions.
J.Phys.Chem. 94: 2294-2300, 1990

90-014
T.Hoffmann-Ostenhof, and M.Hoffmann-Ostenhof.
On the local behaviour of nodes of solutions of Schrödinger equations in dimensions >= 3.
Commun. PDE, 15(4): 435-451, 1990

90-015
A.Becker, G.Buchbauer, S.Winiwarter,and P.Wolschann.
Molecular Shape Comparison of Sandalwood Odor Molecules. Conformational Calculations on Sandalwood Odor III.
J.Ess.Oil Res. 2: 221, 1990

90-016
O.Steinhauser, S.Boresch, and H.Bertagnolli.
The effect of density variation on the structure of liquid hydrogen chloride - A Monte Carlo study.
J.Chem.Phys. 93: 2357-2363, 1990

90-017
A.Karpfen, I.J.Kurnig, and H.Lischka.
Ab Initio Studies on Hydrogen Bonded Trimers. Structure and Vibrational Spectra of HCN(HF)₂ and (HCN)₂HF.
J.Mol.Struct.(Theochem) York 1991, p.441-448, 1990

Theoretical Biochemistry Group

Institute for Theoretical Chemistry