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- Currently displaying 27021 - 27040 of 29619 publications
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)
143
METHODS FOR CALCULATING INTERMOLECULAR POTENTIAL-ENERGY SURFACES
HYDROGEN-BONDED LIQUIDS
(1991)
329
25
THE CALCULATION OF INTERMOLECULAR POTENTIALS
ADVANCES IN BIOMOLECULAR SIMULATIONS
(1991)
239
3
A STUDY ON THE REACTION-MECHANISM OF METHANOL CONVERSION TO HYDROCARBONS BY SOLID-STATE NMR AND GAS-CHROMATOGRAPHY ON A SAPO-34 CATALYST
CATALYTIC SCIENCE AND TECHNOLOGY, VOL 1
(1991)
1
{79-84}
QUANTUM SIMULATION USING PATH-INTEGRALS
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
305
"Characterisation of Unfolded and Partially Folded States of Proteins by NMR Spectroscopy", in Conformations and Forces in Protein Folding
(1991)
175
Photodoping of amorphous chalcogenides by metals
Advances in Physics
(1991)
40
625
(doi: 10.1080/00018739100101532)
The aldol reaction for transition metal enolates
(1991)
2
301
Terpenoid biosynthesis and the stereochemistry of enzyme-catalysed allylic addition-elimination reactions
(1991)
332
123
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)
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
\jcsft
(1991)
87
215-222
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)
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
\molphys
(1991)
74
1-25
INSTANTANEOUS NORMAL MODE ANALYSIS AND COEXISTENCE PHENOMENA IN SMALL CLUSTERS
\jcsft
(1991)
87
2399-2405
LOCAL INTERPRETATION OF CHAOTIC DYNAMICS IN A MANY-BODY CLASSICAL HAMILTONIAN SYSTEM
J. Phys. B
(1991)
24
L351-L357
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
HYDROGEN-BONDED LIQUIDS
(1991)
329
5
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
3
PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
467