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- Currently displaying 28081 - 28100 of 30704 publications
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
\jcsft
(1991)
87
215-222
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
HYDROGEN-BONDED LIQUIDS
(1991)
329
5
PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
467
Theoretical study of some small van der Waals complexes containing inert gas atoms
Molecular Physics
(1991)
74
1
(doi: 10.1080/00268979100102011)
Vapour-liquid equilibria of the hard core Yukawa fluid
Molecular Physics
(1991)
74
35
(doi: 10.1080/00268979100102031)
Novel scheme to compute chemical potentials of chain molecules on a lattice
Molecular Physics
(1991)
74
41
(doi: 10.1080/00268979100102041)
On the anisotropy of diffusion in nematic liquid crystals:Test of a modified affine transformation model via molecular dynamics
Molecular Physics
(1991)
74
765
(doi: 10.1080/00268979100102561)
Research note:Diode laser infrared spectroscopy of jet-cooled hexacarbonyls of chromium, molybdenum, and tungsten
Molecular Physics
(1991)
74
919
(doi: 10.1080/00268979100102691)
INSTANTANEOUS NORMAL MODE ANALYSIS AND COEXISTENCE PHENOMENA IN SMALL CLUSTERS
\jcsft
(1991)
87
2399-2405
The aldol reaction for transition metal enolates
(1991)
2
301
Photodoping of amorphous chalcogenides by metals
Advances in Physics
(1991)
40
625
(doi: 10.1080/00018739100101532)
METHODS FOR CALCULATING INTERMOLECULAR POTENTIAL-ENERGY SURFACES
HYDROGEN-BONDED LIQUIDS
(1991)
329
25
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
3
"Characterisation of Unfolded and Partially Folded States of Proteins by NMR Spectroscopy", in Conformations and Forces in Protein Folding
(1991)
175
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)
143
QUANTUM SIMULATION USING PATH-INTEGRALS
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
305
STABILIZATION OF BARNASE BY AN INTERACTION BETWEEN 2 OPPOSITELY CHARGED SIDE-CHAINS
TECHNIQUES IN PROTEIN CHEMISTRY II
(1991)
295
Terpenoid biosynthesis and the stereochemistry of enzyme-catalysed allylic addition-elimination reactions
(1991)
332
123
THE CALCULATION OF INTERMOLECULAR POTENTIALS
ADVANCES IN BIOMOLECULAR SIMULATIONS
(1991)
239
3
NOVEL ROUTES TO INOSITOL PHOSPHATES USING PSEUDOMONAS-PUTIDA OXIDATION OF ARENES
ACS SYMPOSIUM SERIES
(1991)
463
132
