2003

For availability of preprints see personal webpage of co-workers

03-001
Peter Schuster
Fitness Landscape
In: Encyclopedia of Nonlinear Science
Alvyn Scott, editor
NL3517, Taylor and Francis New York, 2003.
03-002
Peter Schuster
Catalytic Hypercycle
In: Encyclopedia of Nonlinear Science
Alvyn Scott, editor
NL3516, Taylor and Francis New York, 2003.
03-003
Peter Schuster
Biological Evolution
In: Encyclopedia of Nonlinear Science
Alvyn Scott, editor
NL3497, Taylor and Francis New York, 2003.
03-004
Johanna Klocker, Alfred Karpfen and Peter Wolschann
On the Structure and Torsional Potential of Trifluoromethoxybenzene: An ab Initio and Density Functional Study
Chem.Phys.Lett., 367: 566-575, 2003.
03-005
Pavel Lipkowski, Aleksander Koll, Alfred Karpfen and Peter Wolschann
Steric Enhancement of the Strength of Intramolecular Hydrogen Bond in 3-Cl Substituted 2-(N-Dimethylaminomethyl) Phenols
Chem.Phys.Lett., 370: 74-82, 2003.
03-006
Johanna Klocker, Alfred Karpfen and Peter Wolschann
Trends in the Torsional Potentials of Methoxy and Trifluoromethoxy Groups: An ab Initio and Density Functional Study on the Structure of para-Substituted Pyridines and Pyridinium Cations
J.Phys.Chem., 107: 2362-2368, 2003.
03-007
Helmut Viernstein, Petra Weiss-Greiler and Peter Wolschann
Solubility Enhancement of Low Soluble Biologically Active Compounds-Temperature and Cosolvent Dependent Inclusion Complexation
I.J.Pharma., 256: 85-94, 2003.
03-008
Luckhana Lawtrakul, Helmut Viernstein and Peter Wolschann
Molecular Dynamics Simulations of β-Cyclodextrin in Aqueous Solution
I.J.Pharma., 256: 33-41, 2003.
03-009
Johanna Klocker, Alfred Karpfen and Peter Wolschann
Surprisingly Regular Structure-Property Relationships Between C-O Bond Distances and Methoxy Group Torsional Potentials: An Ab Initio and Density Functional Study
J.Mol.Struct., 635: 141-150, 2003.
03-010
Suwipa Saen-oon, Supa Hannongbua and Peter Wolschann
Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-CI TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional Study
J.Chem.Inf.Comput.Sci., 43: 1412-1422, 2003.
03-011
Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh and Peter Wolschann
QSAR Modeling of α-Campholenyl Derivatives with Sandalwood Odor
J.Chem.Inf.Comput.Sci., 43: 259-266, 2003.
03-012
Pornpan Pungpo, Supa Hannongbua and Peter Wolschann
Hologram Quantitative Structure-Activity Relationships Investigations of Non-nucleoside Reverse Transcriptase Inhibitors
Curr.Med.Chem., 10: 1801-1817, 2003.
03-013
Bärbel M.R. Stadler and Peter F. Stadler
Molecular Replicator Dynamics
Adv.Complex Systems, 6: 47-77, 2003.
03-014
Stefan Wuchty and Peter F. Stadler
Centers of Complex Networks
J.Theor.Biol., 223: 45-53, 2003.
03-015
Peter F. Stadler, Wim Hordijk and José F. Fontanari
Phase Transition and Landscape Statistics of the Number Partitioning Problem
Phys.Rev.E, 67: 056701, 2003.
03-016
Peter F. Stadler
Minimum Cycle Bases of Halin Graphs
J.Graph Th., 43: 150-155, 2003.
03-017
Wim Hordijk, José F. Fontanari and Peter F. Stadler
Shapes of Tree Representations of Spin-Glass Landscapes
J.Phys.A: Math.Gen., 36: 3671-3681, 2003.
03-018
Günter P. Wagner and Peter F. Stadler
Quasi-Independence, Homology and the Unity of Type:A Topological Theory of Characters
J.Theor.Biol., 220: 505-527, 2003.
03-019
Peter F. Stadler and Christoph Flamm
Barrier Trees on Poset-Valued Landscapes
J.Gen.Prog.Evol.Machines, 4: 7-20, 2003.
03-020
Claudia Fried, Sonja J. Prohaska and Peter F. Stadler
Independent Hox-Cluster Duplications in Lampreys
J.Exp.Zool., Mol.Dev.Evol., 299B: 18-25, 2003.
03-021
Gil Benkö, Christoph Flamm and Peter F. Stadler
Generic Properties of Chemical Networks:
Artificial Chemistry Based on Graph Rewriting
In: Advances in Artifical Life-Proceedings of the 7th European Conference on Artifical Life(ECAL 2003)
W.Banzhaf, T.Christaller, P.Dittrich, J.T.Kim and J.Ziegler (eds.)
Springer-Verlag Heidelberg, pp.10-20, 2003.
03-022
Günther Weberndorfer, Ivo L. Hofacker and Peter F. Stadler
On the Evolution of Primitive Genetic Codes
Origins Life Evol.Biosph., 33: 491-514, 2003.
03-023
Peter F. Stadler and Christopher R. Stephens
Landscapes and Effective Fitness
Comments Theor.Biol., 8: 389-431, 2003.
03-024
Gil Benkö, Christoph Flamm and Peter F. Stadler
A Graph-Based Toy Model of Chemistry
J.Chem.Inf.Comput.Sci., 43: 1085-1093, 2003.
03-025
Petra M. Gleiss, Josef Leydold and Peter F. Stadler
Circuit Bases of Strongly Connected Digraphs
Discussiones Math.Graph Th., 23: 241-260, 2003.
03-026
Lukas C. Faulstich, Peter F. Stadler, Caroline Thurner and Christina Witwer
Automated Text Categorization in Bibliographic Search
In: Data Mining and Text Mining for Bioinformatics
Tobias Scheffer and Ulf Leser (eds.)
Humboldt Univ., Berlin, pp. 20-25, 2003.
03-027
Bärbel M. R. Stadler and Peter F. Stadler
Higher Separation Axioms in Generalized Closure Spaces
Comment.Math.Warszawa, Ser. I, 43: 257-273, 2003.
03-028
Ivo L. Hofacker, Peter F. Stadler and Roman Stocsits
Conserved RNA Secondary Structures in Viral Genomes: A Survey
In: Proceedings of the German Conference on Bioinformatics. Volume I
H.-W. Mewes, V. Heun, D. Frishman and S. Kramer (eds.)
Belleville Verlag Michael Farin, München, pp.57-62, 2003.
03-029
Ingrid Abfalter, Christoph Flamm and Peter F. Stadler
Design of Multi-Stable Nucleic Acid Sequences
In: Proceedings of the German Conference on Bioinformatics. Volume I
H.-W. Mewes, V. Heun, D. Frishman, S. Kramer (eds.)
Belleville Verlag Michael Farin, München, pp.1-7, 2003.
03-030
Ivo L. Hofacker
RNA Secondary Structure Analysis Using the Vienna RNA Package
In: Current Protocols in Bioinformatics, Volume I
A.D. Baxevanis and D.B. Davison (eds.)
Wiley & Sons, 2003.
03-031
Ivo L. Hofacker
RNA Secondary Structure Prediction
In: Encyclopedia of the Human Genome
D. Cooper (ed.)
Nature publishing group, 2003.
03-032
Ivo L. Hofacker
Vienna RNA Secondary Structure Server
Nucl.Acids Res., 31: 3429-3431, 2003.
03-033
Elizete Ventura, Michal Dallos and Hans Lischka
Revisiting the Stationary Points on the Potential Energy Surface of Tetramethylene at the MR-AQCC Level Using Analytic Gradients
J.Chem.Phys., 118: 10963-10972, 2003.
03-034
Elizete Ventura, Silmar Andrade do Monte, Michal Dallos and Hans Lischka
Cope Rearrangement of 1,5-Hexadiene: Full Geometry Optimizations Using Analytic MR-CISD and MR-AQCC Gradient Methods
J.Phys.Chem.A, 107: 1175-1180, 2003.
03-035
Silmar A. do Monte, Michal Dallos, Thomas Müller and Hans Lischka
MR-CISD and MR-AQCC Calculation of Excited States of Malonaldehyde: Geometry Optimizations Using Analytical Energy Gradient Methods and a Systematic Investigation of Reference Configuration Sets
Collect.Czech.Chem.Commun., 68: 447-462, 2003.
03-036
Elizete Ventura, Michal Dallos and Hans Lischka
The Valence-Excited States T1-T4 and S1-S2 of Acetylene: A High-Level MR-CISD and MR-AQCC Investigation of Stationary Points, Potential Energy Surfaces, and Surface Crossings
J.Chem.Phys., 118: 1702-1713, 2003.
03-037
Daniel Tunega and Hans Lischka
Effect of the Si/Al Ordering on Structual Parameters and the Energetic Stabilization of Vermiculites - A Theoretical Study
Phys.Chem.Minerals, 30: 517-522, 2003.
03-038
Adelia J.A. Aquino, Daniel Tunega, Georg Haberbauer, Martin H. Gerzabek and Hans Lischka
Absorption of Organic Substances on Broken Clay Surfaces: A Quantum Chemical Study
J.Comput.Chem., 24: 1853-1863, 2003.
03-039
Ludger Wirtz, Joachim Burgdörfer, Michal Dallos, Thomas Müller and Hans Lischka
Potential-Energy Surfaces for Charge Exchange Between Singly Charged Ions and a LiF Surface
Phys.Rev.A, 68: 32902-32914, 2003.
03-040
Ivana Anatol, Mirjana Eckert-Maksic, Thomas Müller, Michal Dallos and Hans Lischka
Valence and Rydberg States of Protonated Formaldehyde
Chem.Phys.Lett., 374: 587-593, 2003.
03-041
Imrich Vrabel and Werner Jakubetz
Counterintuitive Multiphoton Pulse Sequences in Molecular Isomerization. I. Selectivity and Robustness of Competing Multiphoton Stimulated Raman Adiabatic Passage Processes
J.Chem.Phys., 118: 7366-7379, 2003.
03-042
Alfred Karpfen
The Intermolecular Interaction in the Charge-Transfer Complexes Between Amines and Halogens: A Theoretical Characterization of the Trends in Halogen Bonding
Theor.Chem.Acc., 110: 1-9, 2003.
03-043
Alfred Karpfen and Eugene S. Kryachko
Blue-Shifted Hydrogen-Bonded Complexes CF3H-(HF)1≤n≤3
J.Phys.Chem.A, 107: 9724-9729, 2003.
03-044
Bernhard Helffer, Thomas Hoffmann-Ostenhof and Nikolai Nadirashvili
Periodic Schrödinger Operators and Aharonov-Bohm Hamiltonians
Mos.Math.J., 3: 45-61, 2003.
03-045
Bernhard Helffer and Thomas Hoffmann-Ostenhof
Spectral Theory for Periodic Schrödinger Operators with Reflection Symmetries
Commun.Maths.Phys., 242: 501-529, 2003.
03-046
Margot Ernst, David Brauchart, Stefan Boresch and Werner Sieghart
Comparative Modelling of GABAA Receptors: Limits, Insights, Future Developments
Neurosci., 119: 933-943, 2003.
03-047
Stefan Boresch, Franz Tettinger, Martin Leitgeb and Martin Karplus
Absolute Binding Free Energies: A Quantitative Approach for their Calculation
J.Phys.Chem.B, 107: 9535-9551, 2003.
03-048
Andreas Schedlbauer, Georg Kontaxis, Mathias König, Johannes Fürst, Martin Jakab, Markus Ritter, Lisa Garavaglia, Guido Bottà, Giuliano Meyer, Markus Paulmichl and Robert Konrat
Sequence-Specific Resonance Assignments of ICln, an Ion Channel Cloned from Epithelial Cells
J.Biomol.NMR, 27: 399-400, 2003.
03-049
Markus Hartl, Theresia Matt, Wolfgang Schüler, Gerd Siemeister, Georg Kontaxis, Karin Kloiber, Robert Konrat and Klaus Bister
Cell Transformation by the v-myc Oncogene Abrogates c-Myc/Max-Mediated Suppression of a C/EBPβ-Dependent Lipocalin Gene
J.Mol.Biol., 333: 33-46, 2003.
03-050
Michael Puchberger, Robert Konrat, Bernhard Kräutler, Ulrike Wagner and Christoph Kratky
Preparation of Reduction-labile Organo-cob(III)alamin via Cob(II)alamin - Efficient Synthesis, Solution and Crystal Structures of Methoxycarbonylmethyl-cob(III)alamin
Helv.Chim.Acta., 86: 1453-1466, 2003.
03-051
Sandra Monti, Giancarlo Marconi, Francesco Manoli, Pietro Bortolus, Bernd Mayer, Gottfried Grabner, Gottfried Köhler, Wojciech Boszczyk and Krystyna Rotkiewicz
A Spectroscopic and Structural Characterization of the Inclusion Complexes of p-Dimethylaminobenzonitrile with Cyclodextrins
Phys.Chem.Chem.Phys., 5: 1019-1026, 2003.
03-052
Sandra Monti, Pietro Bortolus, Francesco Manoli, Giancarlo Marconi, Gottfried Grabner, Gottfried Köhler, Bernd Mayer, Wojciech Boszczyk and Krystyna Rotkiewicz
Microenvironmental Effects in the Excited State Properties of p-Dimethylaminobenzonitrile Complexed to α- and β-Cyclodextrin
Photochem.Photobiol.Scic., 2: 203-211, 2003.
03-053
Dusan Velic and Gottfried Köhler
Supramolecular Surface Layer: Coumarin/thiolated Cyclodextrin/gold
Chem.Phys.Lett., 371: 483-489, 2003.
03-054
Florent Bonnichon, Gottfried Grabner, Claire Richard and Bernadette Lavedrine
Mechanism of 2-Iodophenol Photolysis in Aqueous Solution
New.J.Chem., 27: 591-596, 2003.
03-055
Lenka Hykrdova, Jaromir Jirkovsky, Gottfried Grabner, Gilles Mailhot and Michele Bolte
Degradation of Supramolecular Complexes Photoinduced by Iron(III): The Influence of the Host on the Reactivity of the Guest
Photochem. Photobiol.Sci., 2: 163-170, 2003.
03-056
Georg Waldner, Josef Krysa, Jaromir Jirkovsky and Gottfried Grabner
Photoelectrochemical Properties of Sol-Gel and Particulate TiO2 layers
Int.J.Photoenergy, 5: 115-122, 2003.
03-057
Nikola Getoff, Sonja Solar, Udo-Burckhard Richter and Matthias W.Haenel
Pulse Radiolysis of Pyrene in Aprotic Polar Organic Solvents: Simultaneous Formation of Pyrene Radical Cations and Radical Anions
Radiat.Phys.Chem., 66: 207-214, 2003.
03-058
Edith Heinrich and Nikola Getoff
Mitomycin C-Activity Effected by Vitamins B1, C, E and β-Carotene under Irradiation with γ-Rays
Z.Naturforsch., 58C: 244-248, 2003.
03-059
Nikola Getoff
Effect of Vitamin C, E-Acetate and β-Carotene on the Cytostatic Activity of Nicotinamide (Vitamin B3)
in vivo, 17: 169-172, 2003.
03-060
Nikola Getoff
Mitomycin C Radical Cation Studied by Pulse Radiolysis
in vivo, 17: 173-176, 2003.
03-061
Edith Heinrich and Nikola Getoff
Effect of Vitamin B1 Mixtures of B1 with other Vitamins on Cytostatic Efficiency of Sanazole under Irradiation. A Study in Vitro
Radiat.Phys.Chem., 67: 487-492, 2003.
03-062
Nikola Getoff
CO2 and CO Utilization: Radiation-Induced Carboxylation of Aqueous Chloroacetic Acid to Malonic Acid
Radiat.Phys.Chem., 67: 617-621, 2003.
03-063
Friederike Breitfellner, Sonja Solar and Gerhard Sontag
Radiation Induced Chemical Changes of Phenolic Compounds in Strawberries
Radiat.Phys.Chem., 67: 497-499, 2003.
03-064
Robert Zona and Sonja Solar
Oxidation of 2,4-Dichlorophenoxyacetic Acid by Ionizing Radiation: Degradation, Detoxification and Mineralization
Radiat.Phys.Chem., 66: 137-143, 2003.
03-065
K.Kubesch, Robert Zona, Sonja Solar and Peter Gehringer
Ozone, Electron Beam and Ozone-Electron Beam Degradation of Phenol: A Comparative Study
Ozone Sci.Engin., 25: 377-382, 2003.

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