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- Currently displaying 25921 - 25940 of 30084 publications
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
J. Chem. Soc., Faraday Trans.
(1996)
92
803
(doi: 10.1039/ft9969200803)
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. Chem. Soc., Faraday Trans.
(1996)
92
811
(doi: 10.1039/ft9969200811)
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
J. Chem. Phys.
(1996)
105
8428-8445
Templated synthesis of enzyme mimics: How far can we go?
CHEMICAL SYNTHESIS
(1996)
320
277
"Insights into Protein Dynamics using NMR Techniques", in Dynamics and the Problem of Recognition in Biological Macromolecules
(1996)
127
Can enzyme mimics compete with catalytic antibodies?
CHEMICAL SYNTHESIS
(1996)
320
419
A Systematic Optimization Scheme for Configurational Bias Monte Carlo
Molecular Simulation
(1996)
17
41
(doi: 10.1080/08927029608024093)
Projected temperature increases over southern Africa due to increasing levels of greenhouse gases and sulphate aerosols
S. Afr. J. Sci.
(1996)
92
524
Statistical mechanics for computer simulators
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
3
REARRANGEMENTS OF THE WATER TRIMER
Journal of the Chemical Society, Faraday Transactions
(1996)
92
2505-2517
THEORETICAL-STUDY OF THE WATER pentamer
J. Chem. Phys.
(1996)
105
6957
Introduction to molecular dynamics methods
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
43
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
FEMTOCHEMISTRY
(1996)
578
WHAT CAN CALCULATIONS EMPLOYING EMPIRICAL POTENTIALS TEACH US ABOUT BARE TRANSITION-METAL CLUSTERS
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
(1996)
611-623
Stereoelectronic effects
(1996)
1
1
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
Science
(1996)
271
925-929
Configurational-bias Monte Carlo
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
163
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
Chem. Phys. Lett.
(1996)
259
173
Rapid intramolecular and C-O cleavage reactions of a phosphate triester catalysed by a neighbouring hydroxyl group
RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY
(1996)
115
56