Molecular dynamics techniques for complex molecular systems
OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460
421
Influence of surface topology and electrostatic potential on water/electrode systems
Journal of Chemical Physics
(1995)
102
511
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Properties of supercritical water: an ab initio simulation
Chemical Physics Letters
(1994)
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AB-INITIO LIQUID WATER AND THE CONDUCTIVE STATE OF THE EXCESS ELECTRON
ULTRAFAST REACTION DYNAMICS AND SOLVENT EFFECTS
(1994)
87
Competing interactions in self-assembled monolayers containing peptide groups: Molecular dynamics studies of long-chain perfluoro mercaptans on Au(111)
J. Mater. Chem.
(1994)
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SIMULATION OF SELF-ASSEMBLED MONOLAYERS - MICROSCOPIC STRUCTURE OF AMINO ALKYLTHIOLS
COMPUTATIONAL APPROACHES IN SUPRAMOLECULAR CHEMISTRY
(1994)
426
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Electrostatics at the water-hydrocarbon interface
Tenside Surfactants Detergents
(1993)
30
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EFFECTIVE PAIR POTENTIALS AND BEYOND
COMPUTER SIMULATION IN CHEMICAL PHYSICS
(1993)
397
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ORDERING OF FRACTIONAL MONOLAYERS OF H2O ON NI(110)
Surface Science
(1992)
279
L185
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Intermolecular interactions and the nature of orientational ordering in the solid fullerenes C60 and C70
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(1992)
341
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Folding of model heteropolymers by configurational-bias Monte Carlo
Chemical Physics Letters
(1992)
199
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Orientational ordering in solid C70: Predictions from computer simulation.
Physical Review Letters
(1992)
69
1660
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ADSORPTION OF WATER ON METAL-ELECTRODES OF VARIOUS SHAPE AND ELECTROSTATIC POTENTIAL
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1992)
204
77
ARE MODELS OF ANION HYDRATION OVERBOUND - THE SOLVATION OF THE ELECTRON AND CHLORIDE ANION COMPARED
The European Physical Journal Special Topics
(1991)
01
c5-99-c5-102
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Hydrogen bonding and the static dielectric constant in liquid water
Journal of Chemical Physics
(1991)
95
6762
(doi: 10.1063/1.461515)
QUANTUM SIMULATION USING PATH-INTEGRALS
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
305
Adiabatic dynamics of the solvated electron in liquid ammonia
Journal of Chemical Physics
(1989)
91
5665
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COMPUTER-SIMULATION OF QUANTUM ADIABATIC DYNAMICS BY MEANS OF A CLASSICAL SEPARATION OF TIME SCALES
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1989)
198
32
A polarizable model for water using distributed charge sites
The Journal of Chemical Physics
(1988)
89
7556
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