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  • Currently displaying 28321 - 28340 of 30639 publications
Author(s)
Publication title
Journal Name
Publication year
Unlimited full configuration interaction calculations
PJ Knowles, NC Handy
The Journal of Chemical Physics
(1989)
91
N.m.r. studies of the motion of the hydride proton in solid HRu 10C(CO)24-
PJ Bailey, MJ Duer
Journal of the Chemical Society Chemical Communications
(1989)
Angular-dependent photoselection and anisotropy of optical absorption for photochromic molecules in glassy poly(Methyl methacrylate)
P Jones, P Darcy, GS Attard, WJ Jones, G Williams
Molecular Physics
(1989)
67
A re-examination of multilayer relaxation of Ag(110) by LEED structural analysis
M Lindroos, CJ Barnes, M Valden, DA King
Surface Science
(1989)
218
BENCHMARK CALCULATIONS OF 1ST PRINCIPLES ROTATIONAL AND RO-VIBRATIONAL LINE STRENGTHS
S Carter, P Rosmus, NC Handy, S Miller, J Tennyson, BT Sutcliffe
Computer Physics Communications
(1989)
55
Metal Hydrides as Precursors for the Generation of Supported Metal Particles and Alkali Metal Whiskers
PJ Herley, W Jones
Zeitschrift Fur Physikalische Chemie
(1989)
164
Defect and phase analysis of scandium hydride by transmission electron microscopy
PJ HERLEY, W JONES
Materials Science Engineering A Structural Materials Properties Microstructure and Processing
(1989)
114
Role of long-range interactions in the melting of a metallic surface
B Pluis, TN Taylor, D Frenkel, van der Veen JF
Physical Review B
(1989)
40
Intercalation of organic and inorganic anions into layered double hydroxides
K Chibwe, W Jones
Journal of the Chemical Society Chemical Communications
(1989)
Mapping the transition state and pathway of protein folding by protein engineering
A Matouschek, JT Kellis, L Serrano, AR Fersht
Nature
(1989)
340
Molecular dynamics simulation using hard particles
MP Allen, D Frenkel, J Talbot
Computer Physics Reports
(1989)
9
A numerically stable procedure for calculating M�ller-Plesset energy derivatives, derived using the theory of Lagrangians
T Helgaker, P Jørgensen, NC Handy
Theoretical Chemistry Accounts
(1989)
76
The electrostatic model of field gradients at nuclei. An application to hydrogen-bonded complexes of HCl
J Baker, AD Buckingham, PW Fowler, E Steiner, P Lazzereti, R Zanasi
J CHEM SOC FARAD T 2
(1989)
85
INTRAMOLECULAR PROTON-TRANSFER CATALYSIS OF NUCLEOPHILIC CATALYSIS OF ACETAL HYDROLYSIS - THE HYDROLYSIS OF 8-DIMETHYLAMINO-1-METHOXYMETHOXYNAPHTHALENE
AJ Kirby, JM Percy
Journal of the Chemical Society, Perkin Transactions 2
(1989)
Structure and growth of colloidal metal particles
DJ Wales, AI Kirkland, DA Jefferson
Journal of Chemical Physics
(1989)
91
Ionization and phase diagram of classical Thomson atoms on a triangular lattice.
P Choquard, B Piller, R Rentsch, J Clérouin, JP Hansen
Phys Rev A Gen Phys
(1989)
40
Solid-state NMR studies of zeolite catalysts
J Klinowski
Colloids and Surfaces
(1989)
36
The magnetic hyperpolarizability anisotropy of some two-electron systems
PW Fowler, AD Buckingham
Molecular Physics
(1989)
67
Monte carlo study of rod-like molecules a test of perturbation theory for the kihara model
C Vega, D Frenkel
Molecular Physics
(1989)
67
Distribution and dynamics of mobile ions in systems of ordered B-DNA
LE Guldbrand, TR Forester, RM Lynden-Bell
Molecular Physics
(1989)
67