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  • Currently displaying 25921 - 25940 of 30084 publications
Author(s)
Publication title
Journal Name
Publication year
NMR studies of correlations between molecular motions and liquid-crystalline phase transitions in two hydrogen-bonded carboxylic acid-pyridyl complexes: Part 1. - The aromatic regions
MJ Duer, LF Gladden, AC Griffin, CP Jariwala, C Stourton
J. Chem. Soc., Faraday Trans.
(1996)
92
NMR studies of correlations between molecular motions and liquid-crystalline phase transitions in two hydrogen-bonded carboxylic acid–pyridyl complexes. Part 2.—The alkyl regions
J Clauss, MJ Duer, LF Gladden, AC Griffin, CP Jariwala, C Stourton
J. Chem. Soc., Faraday Trans.
(1996)
92
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
JPK Doye, DJ Wales
J. Chem. Phys.
(1996)
105
Templated synthesis of enzyme mimics: How far can we go?
S Anderson, JKM Sanders
CHEMICAL SYNTHESIS
(1996)
320
"Insights into Protein Dynamics using NMR Techniques", in Dynamics and the Problem of Recognition in Biological Macromolecules
LJ Smith, CM Dobson
(1996)
Can enzyme mimics compete with catalytic antibodies?
CJ Walter, LG Mackay, JKM Sanders
CHEMICAL SYNTHESIS
(1996)
320
A Systematic Optimization Scheme for Configurational Bias Monte Carlo
GCAM Mooij, D Frenkel
Molecular Simulation
(1996)
17
Liquid-like behavior ln solids
D Frenkel, P Bladon, P Bolhuis, M Hagen
Molecular Simulation
(1996)
16
Projected temperature increases over southern Africa due to increasing levels of greenhouse gases and sulphate aerosols
AM Joubert, MO Köhler
S. Afr. J. Sci.
(1996)
92
Statistical mechanics for computer simulators
D Frenkel
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
REARRANGEMENTS OF THE WATER TRIMER
TR Walsh, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1996)
92
THEORETICAL-STUDY OF THE WATER pentamer
DJ Wales, TR Walsh
J. Chem. Phys.
(1996)
105
Introduction to molecular dynamics methods
M Sprik
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
M Tuckerman, M Sprik, M Parrinello
FEMTOCHEMISTRY
(1996)
WHAT CAN CALCULATIONS EMPLOYING EMPIRICAL POTENTIALS TEACH US ABOUT BARE TRANSITION-METAL CLUSTERS
DJ Wales, LJ Munro, JPK Doye
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
(1996)
Stereoelectronic effects
AJ Kirby
(1996)
1
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
DJ Wales
Science
(1996)
271
Configurational-bias Monte Carlo
D Frenkel, G Mooij
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
RM Minyaev, VI Minkin, DJ Wales
Chem. Phys. Lett.
(1996)
259
Rapid intramolecular and C-O cleavage reactions of a phosphate triester catalysed by a neighbouring hydroxyl group
AJ Kirby, RE Marriott
RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY
(1996)
115