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  • Currently displaying 27021 - 27040 of 29619 publications
Author(s)
Publication title
Journal Name
Publication year
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
DMP MINGOS, DJ WALES
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)
METHODS FOR CALCULATING INTERMOLECULAR POTENTIAL-ENERGY SURFACES
AJ STONE
HYDROGEN-BONDED LIQUIDS
(1991)
329
THE CALCULATION OF INTERMOLECULAR POTENTIALS
AJ STONE
ADVANCES IN BIOMOLECULAR SIMULATIONS
(1991)
239
A STUDY ON THE REACTION-MECHANISM OF METHANOL CONVERSION TO HYDROCARBONS BY SOLID-STATE NMR AND GAS-CHROMATOGRAPHY ON A SAPO-34 CATALYST
Y XU, C GREY, J THOMAS, A CHEETHAM
CATALYTIC SCIENCE AND TECHNOLOGY, VOL 1
(1991)
1
QUANTUM SIMULATION USING PATH-INTEGRALS
M SPRIK
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
"Characterisation of Unfolded and Partially Folded States of Proteins by NMR Spectroscopy", in Conformations and Forces in Protein Folding
CM Dobson, C Hanley, SE Radford, J Baum, PA Evans
(1991)
Photodoping of amorphous chalcogenides by metals
AV Kolobov, SR Elliott
Advances in Physics
(1991)
40
The aldol reaction for transition metal enolates
I Paterson
(1991)
2
Terpenoid biosynthesis and the stereochemistry of enzyme-catalysed allylic addition-elimination reactions
DE Cane, C Abell, PHM Harrison, BR Hubbard, CT Kane, R Lattman, JS Oliver, SW Weiner
(1991)
332
Theoretical study of some small van der waals complexes containing inert gas atoms
DJ Wales
Molecular Physics
(1991)
74
Vapour-liquid equilibria of the hard core Yukawa fluid
B Smit, D Frenkel
Molecular Physics
(1991)
74
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
J Uppenbrink, DJ Wales
\jcsft
(1991)
87
Novel scheme to compute chemical potentials of chain molecules on a lattice
GCAM Mooij, D Frenkel
Molecular Physics
(1991)
74
On the anisotropy of diffusion in nematic liquid crystals:Test of a modified affine transformation model via molecular dynamics
S Hess, D Frenkel, MP Allen
Molecular Physics
(1991)
74
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
DJ Wales
\molphys
(1991)
74
INSTANTANEOUS NORMAL MODE ANALYSIS AND COEXISTENCE PHENOMENA IN SMALL CLUSTERS
DJ Wales
\jcsft
(1991)
87
LOCAL INTERPRETATION OF CHAOTIC DYNAMICS IN A MANY-BODY CLASSICAL HAMILTONIAN SYSTEM
DJ Wales, RS Berry
J. Phys. B
(1991)
24
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
JP HANSEN
HYDROGEN-BONDED LIQUIDS
(1991)
329
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
J CLEROUIN, G ZERAH, JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205