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  • Currently displaying 26921 - 26940 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
Spin contamination in single-determinant wavefunctions
JS Andrews, D Jayatilaka, RGA Bone, NC Handy, RD Amos
Chemical Physics Letters
(1991)
183
Some investigations of the MP2-R12 method
MJ Bearpark, NC Handy, RD Amos, PE Maslen
Theoretica Chimica Acta
(1991)
79
An ultrahigh vacuum single crystal adsorption microcalorimeter
CE Borroni-Bird, DA King
Review of Scientific Instruments
(1991)
62
Rotational relaxation in dense gases
AV Storozhev, RM Lynden-Bell
Chemical Physics Letters
(1991)
183
THE PRODUCTION OF VIBRATIONALLY EXCITED NCO (X2-PI) IN THE REACTION BETWEEN CN RADICALS AND O2
LF Phillips, IWM Smith, RP Tuckett, CJ Whitham
Chemical Physics Letters
(1991)
183
Computer simulation of polymer-induced clustering of colloids.
EJ Meijer, D Frenkel
Physical review letters
(1991)
67
VARIATIONAL ROVIBRATIONAL STUDIES OF 3-ATOM AND 4-ATOM MOLECULES
NC HANDY
ABSTR PAP AM CHEM S
(1991)
202
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES
JE RICE, NC HANDY
ABSTR PAP AM CHEM S
(1991)
202
MODELING TRANSITION-STATES WITH FORCE-FIELDS - DEVELOPMENT OF THE BEST POSSIBLE PARAMETERS
J GOODMAN
ABSTR PAP AM CHEM S
(1991)
202
Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules
MJ Bramley, WH Green, NC Handy
Molecular Physics
(1991)
73
A study of the ground electronic state of disulphane
M-D Su, A Willetts, MJ Bramley, 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 AL-27 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 WozĚŠniak, TM Krygowski, B Kariuki, W Jones
Journal of Molecular Structure
(1991)
248
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
Stereocontrolled synthesis of homoallylic amines using phosphine oxides and isoxazolines
SK Armstrong, S Warren, EW Collington, A Naylor
Tetrahedron Letters
(1991)
32
High-resolution image simulations of small metal particles
AI Kirkland, DA Jefferson, D Tang, PP Edwards
Proceedings of the Royal Society A
(1991)
434
Origin of the first sharp diffraction peak in the structure factor of covalent glasses
SR Elliott
Phys Rev Lett
(1991)
67
Surface electrostatic interactions contribute little to stability of barnase
D Sali, M Bycroft, AR Fersht
Journal of Molecular Biology
(1991)
220