2002
For availability of preprints see personal webpage of co-workers
02-001Peter Schuster
A Testable Genotype-Phenotype Map: Modeling Evolution of RNA Molecules
In: Michael Lässig and Angelo Valleriani(eds).
Biological Evolution and Statistical Physics. Springer-Verlag ,
Berlin, pages 56-83, 2002.
02-002
Peter Schuster
Quo vadit Complexity
Complexity, 7: 3-4, 2002.
02-003
Peter Schuster
Evolutionary Biotechnology - From Ideas and Comcepts to Experiments and Computer Simulation
In: Susanne Brakmann and Kai Johnsson(eds).
Directed Molecular Evolution of Proteins. Wiley - VCH
2: Weinheim, DE, 5-28, 2002.
02-004
Peter Schuster
Leopoldina
Leopoldina Jahrbuch 2001 ,47: 567-583, 2002.
02-005
Paul E. Phillipson and Peter Schuster
Bistability of Harmonically Forced Relaxation Oscillations
Int.J.of Bif.Chaos, 12: 1295-1307, 2002.
02-006
Peter Schuster and Peter F. Stadler
Networks in Molecular Evolution
Complexity, 8: 34-42, 2002.
02-007
Johanna Klocker, Bettina Wailzer, Georg Buchbauer and Peter Wolschann
Aroma Quality Differentiation of Pyrazine Derivatives Using Self-Organizing Molecular Field Analysis and Artifical Neural Network.
J.Agric.Food Chem., 50: 4069-4075, 2002.
02-008
Pavel Lipkowski, Aleksander Koll, Alfred Karpfen and Peter Wolschann
An Approach to Estimate the Energy of the Intramolecular Hydrogen Bond
Chem.Phys.Lett., 360: 256-263, 2002.
02-009
Christian Th. Klein, Norbert Kaiblinger and Peter Wolschann
Internally Defined Distances in 3D-Quantitative Structure-Activity Relationships
J.Comput.Aided Molec.Design, 16: 79-93, 2002.
02-010
Johanna Klocker, Bettina Wailzer, Gerhard Buchbauer and Peter Wolschann
Bayesian Neural Networks for Aroma Classification
J.Chem.Inf.Comput.Sci., 42: 1443-1449, 2002.
02-011
Siriporn Okonogi, Jakkapan Sirithunyalung, Busaban Sirithunyalung, Peter Wolschann and Helmut Viernstein
Effect of Carrier Types on the Physicochemical and Dissolution Characteristics of Ofloxacin Solid Dispersion
Sci.Pharm., 70: 309-316, 2002.
02-012
Helmut Viernstein, Petra Weiss-Greiler Peter and Wolschann
Solubility Enhancement of Low Soluble Biologically Active Compounds by Beta Cyclodextrin and Dimethyl Beta -Cyclodextrin
J.Incl.Phen.Macroc.Chem., 44: 235-239, 2002.
02-013
Jose F. Fontanari and Peter F. Stadler
Fractal Geometry of Spin-Glass Models
J.Phys.A:Math.Gen., 35: 1509-1516, 2002.
02-014
Ulrike Mückstein, Ivo L. Hofacker and Peter F. Stadler
Stochastic Pairwise Alignments
Bioinformatics, 18: S153-S160, 2002.
02-015
Wilfried Imrich and Peter F. Stadler
Minimum Cycle Bases of Product Graphs
Australasian J.Comb., 26: 233-244, 2002.
02-016
Oliver Bastert, Dan Rockmore, Peter F. Stadler and Gottfried Tinhofer
Landscapes on Spaces of Trees
Appl.Math.Comput., 131: 439-459, 2002.
02-017
Ivo L. Hofacker, Martin Fekete and Peter F. Stadler
Secondary Structure Prediction for Aligned RNA Sequences
J.Mol.Biol., 319: 1059-1066, 2002.
02-018
Peter F. Stadler
Fitness Landscapes
In: M. Lässig and A. Valleriani (eds.):
Biological Evolution and Statistical Physics
Springer-Verlag, Berlin, 2002, pp. 187-207.
02-019
Bärbel M.R. Stadler and Peter F. Stadler
Generalized Topological Spaces in Evolutionary Theory and Combinatorial Chemistry
J.Chem.Inf.Comput.Sci., 42: 577-585, 2002.
02-020
Christian M. Reidys and Peter F. Stadler
Combinatorial Landscapes
SIAM Review, 44: 3-54, 2002.
02-021
Bärbel M.R. Stadler, Peter F. Stadler, Max Shpak and Günter P. Wagner
Recombination Spaces, Metrics, and Pretopologies
Z.Phys.Chem., 216: 217-234, 2002.
02-022
Christoph Flamm, Ivo L. Hofacker, Peter F. Stadler and Michael T. Wolfinger
Barrier Trees of Degenerate Landscapes
Z.Phys.Chem., 216: 155-173, 2002.
02-023
Bärbel M. R. Stadler, Peter F. Stadler and Peter R. Wills
Evolution in Systems of Ligation-Based Replicators
Z.Phys.Chem., 216: 21-33, 2002.
02-024
Dan Rockmore, Peter Kostelec, Wim Hordijk and Peter F. Stadler
Fast Fourier Transform for Fitness Landscapes
Appl.Comput.Harm.Anal., 12: 57-76, 2002.
02-025
Bärbel M. R. Stadler
Diffusion of a Population of Interacting Replicators in Sequence Space
Adv.Compl.Sys., 5: 457-461, 2002.
02-026
Hans Lischka, Michal Dallos and Ron Shepard
Analytic MRCI Gradient for Excited States: Formalism and Application to the n-π* Valence- and n-(3s,3p) Rydberg States of Formaldehyde
Molec.Phys., 100: 1647-1658, 2002.
02-027
Daniel Tunega, Georg Haberbauer, Martin H. Gerzabek and Hans Lischka
Theoretical Study of Adsorption Sites on the (001) Surfaces of 1:1 Clay Minerals
Langmuir, 18: 139-147, 2002.
02-028
Adelia J.A. Aquino, Daniel Tunega, Georg Haberbauer, Martin H. Gerzabek and Hans Lischka
Solvent Effects on Hydrogen Bonds-A Theoretical Study
J.Phys.Chem.A, 106: 1862-1871, 2002.
02-029
Michal Dallos, Hans Lischka, Elizete Ventura do Monte, M. Hirsch and W. Quapp
Determination of Energy Minima and Saddle Points Using Multireference Configuration Interaction Methods in Combination with Reduced Gradient Following: The S0 Surface of H2CO and the T1 and T2 Surfaces of Acetylene
J.Comput.Chem., 23: 576-583, 2002.
02-030
Ron Shepard, Isaiah Shavitt and Hans Lischka
Reducing I/O Costs for the Eigenvalue Procedure in Large-Scale Configuration Interaction Calculations
J.Comput.Chem., 23: 1121-1125, 2002.
02-031
Daniel Tunega, Lubomir Benco, Georg Haberbauer, Martin Gerzabek and Hans Lischka
Ab Initio Molecular Dynamics Study of Adsorption Sites on the (001) Surfaces of 1:1 Dioctahedral Clay Minerals
J.Phys.Chem.B, 106: 11515-11525, 2002.
02-032
Alfred Karpfen
Cooperative Effects in Hydrogen Bonding
Adv.Chem.Phys., 123: 469-510, 2002.
02-033
Somsak Tonmunphean, Vudhichai Parasuk and Alfred Karpfen
The Torsional Potential of Dimethyl Peroxide: Still a Difficult Case for Theory
J.Phys.Chem.A, 106: 438-446, 2002.
02-034
Werner Jakubetz and Boon-Leong Lan
Resonance-Leaking to Specific Background States: A Loss Mechanism in Molecular Multiphoton Transitions
J.Chem.Phys., 117: 7968-7979, 2002.
02-035
Franz Milota, Andreas Tortschanoff, Christian Warmuth, Werner Jakubetz and Harald F.Kauffmann
Femtosecond Interferometry with Molecular Wavefunctions-Experiments on the Quantum Dynamics of Rovibronic Motion
In: A.Douhal and J.Santamaria(eds).
Femtochemistry and Femtobiology-Ultrafast Dynamics in Molecular Science,
World Scientific, Singapore, pages 73-80, 2002.
02-036
Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof and Ari Laptev
A Geometrical Version of Hardy's Inequality
J.Func.Analysis, 189: 539-548, 2002.
02-037
Bernard Helffer, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof and Nikolai Nadirashvili
Spectral Theory for the Dihedral Group
Geom.Func.Analysis, 12: 989-1017, 2002.
02-038
Soren Fournais, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof and Thomas Ostergaard Sorensen
The Electron Density is Smooth
Comm.Math.Phys., 228: 401-415, 2002.
03-039
Soren Fournais, Maria Hoffmann-Ostenhof, Thomas Hoffmann-Ostenhof and Thomas Ostergaard Sorensen
On the Regularity of the Density of Electronic Wavefunctions. Mathematical Results in Quantum Mechanics(Taxco 2001)
Contemp.Math, Amer.Math.Soc.,Providence, RI, 307: 143-148, 2002.
02-040
Stefan Boresch
The Role of Bonded Energy Terms in free Simulations-Insights from Analytical Results
Molec.Simulation, 28: 13-37, 2002.
02-041
Christine Maier, Dominik Rünzler, L.Wagner, Gottfried Grabner, Gottfried Köhler and Anton Luger
Evidence for Specific Glucocorticoid Binding Sites on the Cell Mebrane by Fluorescence Correlation Spectroscopy
Single Mol., 3: 211-216, 2002.
02-042
Andreas Parusel, Rudolf Schamschule and Gottfried Köhler
Absence odf Dual Fluorescence in Cyano Isomers and Di-Cyano Derivatives related to N,N-Dimethyl-4-aminobenzonitrile: A DFT/TMRCI Study
Z.Phys.Chem., 216: 361-373, 2002.
02-043
Karin Kloiber, Wolfgang Schüler and Robert Konrat
Automated NMR Determination of Protein Backbone Dihedral Angles from Cross-Correlated Spin Relaxation
J.Biomol.NMR, 22: 349, 2002.
02-044
Wolfgang Fieber, Bernd Hoffmann, Wolfgang Schmidt, Erhard Stupperich, Robert Konrat and Bernhard Kräutler
Pseudocoenzyme B12 and Adenosyl-Factor A: Electrochemical Synthesis and Spectroscopic Analysis of Two Natural B12 Coenzymes with Predominantly "Base-off" Constitution
Helvetica Chimica Acta, 85: 927-944, 2002.
02-045
Renate B. Hannak, Robert Konrat, Wolfgang Schüler, Bernhard Kräutler, Maria-Teresa M. Auditor and Donald Hilvert
An Antibody that Reconstitutes the "Base-On" Form of B12 Coenzymes
Angew.Chem.Int.Ed., 41: 3613-3616, 2002.
02-046
Andreas B.J.Parusel, Wolfgang Rettig and Wibke Sudholt
A Comparative Theoretical Study on DMABN. Significance of Excited State Optimized Geometries and Direct Comparison of Methodologies
J.Phys.Chem.A, 106: 804-815, 2002.
02-047
Andreas B.J.Parusel, Wolfgang Rettig and Krystyna Rotkiewicz
Spectroscopic and Theoretical Studies of 6-N, N-Dimethyladenine
J.Phys.Chem.A, 106: 2293-2299, 2002.
02-048
Ruth M. Quint and Nikola Getoff
Dose Reduction and Dose Measurement for Pulse Radiolysis Equipment, Type FEBERTRON 708
Nuclear Instr.and Meth.in Phys.Research, A 481: 81-85, 2002.
02-049
Ruth M. Quint, Sonja Solar and Helga Stan Lotter
Radiation Sensitivity of N. pharaonis in Comparison with E.coli K12 Strains
Radiat.Environ Biophys., 41: 145-148, 2002.
02-050
Friederike Breitenfellner, Sonja Solar and Gerhard Sonntag
Effect of γ-Irritation on Phenolic Acids in Strawberries
Food Chem.and Toxicology, 67: (2) 517-521, 2002.
02-051
Robert Zona, Sonja Solar, Knud Sehested, Jerzy Holcman and Stephan P. Mezyk
OH-Radical Induced Oxidation of Phenoxyacetic Acid and 2,4-Dichlorophenoxyacetic Acid.Primary Radical Steps and Products
J.Phys.Chem.A, 106: 6743-6749, 2002.
02-052
Friederike Breitenfellner, Sonja Solar and Gerhard Sonntag
Effect of Gamma Irritation on Flavonoids in Strawberries
Eur.Food Res.Tech., 215: 28-31, 2002.
02-053
Robert Zona, Sonja Solar and Peter Gehringer
Degradation of 2,4-Dichlorophenoxyacetic Acid by Ionizing Radiation: Influence of Oxygen Concentration
Water Research, 36: 1369-1374, 2002.
02-054
Noboru Watanabe and Kota Yamauchi and Yohei Kamata and Yasuo Udagawa and Thomas Mueller
Electron Correlation Effects in N2 and {CO} Studied by X-ray Scattering and {CISD Calculations}
Molec.Phys., 100: 2839-2847, 2002.