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  • Currently displaying 28061 - 28080 of 30196 publications
Author(s)
Publication title
Journal Name
Publication year
MODERN ELECTRONIC-STRUCTURE CALCULATIONS - THE ACCURATE PREDICTION OF SPECTROSCOPIC BAND ORIGINS
NC HANDY
SUPERCOMPUTER ALGORITHMS FOR REACTIVITY, DYNAMICS AND KINETICS OF SMALL MOLECULES
(1989)
277
GRADIENT THEORY - ITS APPLICATION TO THE EXTENDED HARTREE-FOCK METHOD
NC HANDY, JE RICE
QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS
(1989)
62
Theory of inhomogeneous fluids and freezing
JL Barrat, JP Hansen
NATO ASI Science Series B, Physics
(1989)
186
Hybridization schemes for clusters
DJ Wales
Molecular Physics
(1989)
67
Steady-state structure and dynamics of a two-dimensional conducting fluid
DJ Evans, RM Lynden-Bell, GP Morriss
Molecular Physics
(1989)
67
Freezing, melting, spinodals, and clusters.
RS Berry, DJ Wales
Phys Rev Lett
(1989)
63
skeletal rearrangements in clusters III. applications of vibrational analysis
DJ Wales, DMP Mingos
Polyhedron
(1989)
15
Reversible photoinduced change of ac conduction in amorphous As2S3 films
K Shimakawa, SR Elliott
Physical Review B
(1988)
38
The vibrational circular dichroism of dimethylcyclopropane in the C–H stretching region
RD Amos, NC Handy, AF Drake, P Palmieri
The Journal of Chemical Physics
(1988)
89
Overtone spectra of C-H oscillators in cold molecules
MW Crofton, CG Stevens, D Klenerman, JH Gutow, RN Zare
The Journal of Chemical Physics
(1988)
89
A polarizable model for water using distributed charge sites
M Sprik, ML Klein
Journal of Chemical Physics
(1988)
89
Solvation of electrons, atoms and ions in liquid ammonia
M Marchi, M Sprik, ML Klein
Faraday Discussions
(1988)
85
Stereoelectronic effects on anilide conformation
P Camilleri, AJ Kirby, RJ Lewis, JKM Sanders
Chemical Communications
(1988)
General discussion
M Poliakoff, M Takami, WO George, JM Hutson, DJ Nesbitt, JS Muenter, AD Buckingham, P Suppan, Howard
Faraday Discussions of the Chemical Society
(1988)
86
Synthesis, characterisation, and catalytic activity of a phosphinidene stabilised tethered triruthenium cluster
VD Alexiev, N Binsted, SL Cook, J Evans, RJ Price, NJ Clayden, CM Dobson, DJ Smith, GN Greaves
Dalton Transactions
(1988)
Concentration-modulated absorption spectroscopy. Lifetime measurements of the 2 E state of Cr 3+ in a ruby crystal
B Czarnik-Matusewicz, R Griffiths, PF Jones, WJ Jones, W Mallawaarachchi, G Smith
Journal of the Chemical Society, Faraday Transactions 2
(1988)
84
The direct electrochemistry of protein—protein complexes
PD BARKER, LH GUO, HAO HILL, GS SANGHERA
Biochemical Society Transactions
(1988)
16
General discussion
D Chandler, HL Friedman, JT Hynes, P Suppan, BE Conway, Y Marcus, MCR Symons, ML Klein, WAP Luck, AD Buckingham, BJ Howard, P Kebarle, JBFN Engberts, MH Abraham, M Henchman, AA Viggiano, JF Paulson, F Dale, C Deakyne, S Tomoda, PG Wolynes, JP Devlin, PF Barbara, O Kajimoto, JP Simons
Faraday Discussions of the Chemical Society
(1988)
85
The direct electrochemistry of cytochrome b5 at peptide-modified gold electrodes
S BAGBY, PD BARKER, K DI GLERIA, HAO HILL, VJ LOWE
Biochemical Society Transactions
(1988)
16
The direct electrochemistry of flavodoxin from Azotobacter chroococcum at a graphite electrode promoted by aminoglycosides
PD BARKER, HAO HILL, GS SANGHERA, RR EADY, RNF THORNELEY
Biochemical Society Transactions
(1988)
16