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  • Currently displaying 28181 - 28200 of 30921 publications
Author(s)
Publication title
Journal Name
Publication year
MODELING TRANSITION-STATES WITH FORCE-FIELDS - DEVELOPMENT OF THE BEST POSSIBLE PARAMETERS
J GOODMAN
ABSTR PAP AM CHEM S
(1991)
202
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES
JE RICE, NC HANDY
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1991)
202
VARIATIONAL ROVIBRATIONAL STUDIES OF 3-ATOM AND 4-ATOM MOLECULES
NC HANDY
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1991)
202
A study of the ground electronic state of disulphane
M-D Su, A Willetts, MJ Bramley, NC Handy
Molecular Physics
(1991)
73
Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules
MJ Bramley, WH Green, NC Handy
Molecular Physics
(1991)
73
The onset of disorder on a surface with a step
H Xu, RM Lynden-Bell
Molecular Physics
(1991)
73
Isotope effects on the stability of the carbon monoxide-acetylene van der Waals molecule and the hydrogen fluoride dimer
SAC McDowell, AD Buckingham
Chemical Physics Letters
(1991)
182
Solid-state 27Al NMR studies of AlPO4-8
J Rocha, X Liu, J Klinowski
Chemical Physics Letters
(1991)
182
CRYSTALLOGRAPHIC STUDIES OF INTRAMOLECULAR AND INTERMOLECULAR INTERACTIONS .7. CRYSTAL AND MOLECULAR-STRUCTURE OF THE COMPLEX OF ACRIDINE-PENTACHLOROPHENOL - H-BONDING EFFECT ON THE GEOMETRY OF THE PENTACHLOROPHENOL MOIETY
K Woz̊niak, TM Krygowski, B Kariuki, W Jones
Journal of Molecular Structure
(1991)
248
Stereocontrolled synthesis of homoallylic amines using phosphine oxides and isoxazolines
SK Armstrong, S Warren, EW Collington, A Naylor
Tetrahedron Letters
(1991)
32
Chemistry of insect antifeedants from azadirachta indica (part 8): Synthesis of hydroxydihydrofuran acetal fragments for biological evaluation and azadirachtin total synthesis studies.
JC Anderson, SV Ley, D Santafianos, RN Sheppard
Tetrahedron
(1991)
47
High-resolution image simulations of small metal particles
AI Kirkland, DA Jefferson, D Tang, PP Edwards
Proceedings of the Royal Society A
(1991)
434
Instantaneous normal mode analysis and coexistence phenomena in small clusters
DJ Wales
Journal of the Chemical Society Faraday Transactions
(1991)
87
Surface electrostatic interactions contribute little of stability of barnase.
D Sali, M Bycroft, AR Fersht
J Mol Biol
(1991)
220
Origin of the first sharp diffraction peak in the structure factor of covalent glasses
SR Elliott
Physical Review Letters
(1991)
67
SULFUR ADSORPTION ON CU(110) - A SEXAFS STUDY
A Atrei, AL Johnson, DA King
Surface Science
(1991)
254
Extended mode coupling and simulations in cellular-automata fluids.
T Naitoh, MH Ernst, van der Hoef MA, D Frenkel
Physical review. A, Atomic, molecular, and optical physics
(1991)
44
Preface
D Frenkel, H Lekkerkerker, T Odijk
Physica A Statistical Mechanics and Its Applications
(1991)
176
Simulation of sub-molecular and supra-molecular fluids
D Frenkel
Physica A Statistical Mechanics and its Applications
(1991)
176
ORDERING IN SUPRAMOLECULAR FLUIDS - WORKSHOP HELD BY THE-ROYAL-NETHERLANDS-ACADEMY-OF-ARTS-AND-SCIENCES AT THE PREMISES OF THE ACADEMY AT AMSTERDAM AMSTERDAM, THE NETHERLANDS, 24-26 OCTOBER, 1990 - PREFACE
D FRENKEL, H LEKKERKERKER, T ODIJK
PHYSICA A
(1991)
176