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  • Currently displaying 27841 - 27860 of 30425 publications
Author(s)
Publication title
Journal Name
Publication year
Theoretical study of some small van der waals complexes containing inert gas atoms
DJ Wales
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
PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
J CLEROUIN, G ZERAH, JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
rearrangements in polyhedral boranes and metal clusters
DMP Mingos, DJ Wales
electron deficient boron and carbon clusters
(1991)
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
JP HANSEN
HYDROGEN-BONDED LIQUIDS
(1991)
329
Ionic transport in glassy materials
SR Elliott
Radiation Effects and Defects in Solids
(1991)
119
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)
THE CALCULATION OF INTERMOLECULAR POTENTIALS
AJ STONE
ADVANCES IN BIOMOLECULAR SIMULATIONS
(1991)
239
METHODS FOR CALCULATING INTERMOLECULAR POTENTIAL-ENERGY SURFACES
AJ STONE
HYDROGEN-BONDED LIQUIDS
(1991)
329
QUANTUM SIMULATION USING PATH-INTEGRALS
M SPRIK
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
Investigation of porphyrins and metalloporphyrins by fast atom bombardment mass spectrometry
S Naylor, JH Lamb, CA Hunter, JA Cowan, JKM Sanders
Analytica Chimica Acta
(1990)
241
Strength and co-operativity of contributions of surface salt bridges to protein stability.
A Horovitz, L Serrano, B Avron, M Bycroft, AR Fersht
Journal of molecular biology
(1990)
216
Molecular-dynamics simulation of methane adsorbed on MgO: Evidence for a Kosterlitz-Thouless transition
A Alavi
Molecular Physics
(1990)
71
Reversible photoinduced change of photoconductivity in amorphous chalcogenide films.
K Shimakawa, S Inami, SR Elliott
Physical Review B
(1990)
42
Diffusion, viscosity and structural slowing down in soft sphere alloys near the kinetic glass transition
J-L Barrat, J-N Roux, J-P Hansen
Chemical Physics
(1990)
149
A reverse approach to 1H-n.m.r. assignments of bacterial polysaccharides
DN Jones, JK Sanders
Carbohydrate Research
(1990)
208
Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluoride
JE Rice, RD Amos, SM Colwell, NC Handy, J Sanz
The Journal of Chemical Physics
(1990)
93
How the range of pair interactions governs features of multidimensional potentials
PA Braier, RS Berry, DJ Wales
Journal of Chemical Physics
(1990)
93
Template removal from molecular sieves by low-temperature plasma calcination
TLM Maesen, HW Kouwenhoven, H van Bekkum, B Sulikowski, J Klinowski
Journal of the Chemical Society Faraday Transactions
(1990)
86