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  • Currently displaying 26421 - 26440 of 30565 publications
Author(s)
Publication title
Journal Name
Publication year
A computational model for stereoselectivity in the boron-mediated aldol reactions of methyl ketones
I Paterson, A Bernardi, C Gennari, JM Goodman
(1996)
Statistical mechanics for computer simulators
D Frenkel
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Configurational-bias Monte Carlo
D Frenkel, G Mooij
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Path integrals and ab initio molecular dynamics
A Alavi
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Hen egg white lysozyme: A temperature dependence study of the folding process
A Matagne, SE Radford, CM Dobson
ARCHIVES OF PHYSIOLOGY AND BIOCHEMISTRY
(1996)
104
Insights into protein dynamics by NMR techniques
LJ Smith, CM Dobson
DYNAMICS AND THE PROBLEM OF RECOGNITION IN BIOLOGICAL MACROMOLECULES
(1996)
288
Introduction to molecular dynamics methods
M Sprik
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Templated synthesis of enzyme mimics: How far can we go?
S Anderson, JKM Sanders
CHEMICAL SYNTHESIS
(1996)
320
Synthesis, characterization and formation mechanism of the mesoporous molecular sieve MCM-41
JM Klinowski, C-F Cheng, Z Luan, MD Alba, H He, W Zhou, R Mokaya
Tailor-made Silicon-Oxygen Compounds - from Molecules to Materials
(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)
THEORETICAL-STUDY OF THE WATER pentamer
DJ Wales, TR Walsh
J. Chem. Phys.
(1996)
105
Thermodynamic unfolding of isolated streptokinase domains.
AI Azuaga, F ConejeroLara, J Parrado, CP Ponting, RAG Smith, PL Mateo, CM Dobson
PROG BIOPHYS MOL BIO
(1996)
65
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURE AND STABILITY OF SIMPLE LIQUIDS - FROM CLUSTERS TO BULK, FROM SODIUM TO C-60
JPK Doye, DJ Wales
J. Phys. B
(1996)
29
THE STRUCTURE OF $(C_60)_N$ CLUSTERS
JPK Doye, DJ Wales
Chem. Phys. Lett.
(1996)
262
Stereoelectronic effects
AJ Kirby
(1996)
1
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
JPK Doye, DJ Wales
J. Chem. Phys.
(1996)
105
THE STRUCTURE AND STABILITY OF ATOMIC LIQUIDS - FROM CLUSTERS TO BULK
JPK Doye, DJ Wales
Science
(1996)
271
REARRANGEMENTS OF THE WATER TRIMER
TR Walsh, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1996)
92
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)
Prolonged laser ablation effects of YBCO ceramic targets during thin film deposition: Influence of processing parameters
R Tomov, V Tsaneva, V Tsanev, D Ouzounov
Journal of Low Temperature Physics
(1996)
105