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  • Currently displaying 28441 - 28460 of 31095 publications
Author(s)
Publication title
Journal Name
Publication year
Packing schemes for Lennard-Jones clusters of 13 to 150 atoms: minima, transition states and rearrangement mechanisms
J Uppenbrink, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1991)
87
2-DIMENSIONAL J-RESOLVED C-13 NMR OF A SOLID WITH RESTRICTED MOLECULAR-MOTION
J Rocha, W Kołodziejski, J Klinowski
Chemical Physics Letters
(1991)
176
Stable configurations of confined cold ionic systems
R Rafac, JP Schiffer, JS Hangst, DH Dubin, DJ Wales
Proc Natl Acad Sci U S A
(1991)
88
Central or distributed multipole moments? Electrostatic models of aromatic dimers
PW Fowler, AD Buckingham
Chemical Physics Letters
(1991)
176
The Polanyi Lecture. Radical–radical reactions: kinetics, dynamics and mechanisms
IWM Smith
J. Chem. Soc., Faraday Trans.
(1991)
87
General discussion
JPRB Walton, CRA Catlow, GB Suffritti, P Demontis, ML Klein, L Leherte, T Demi, J Yarwood, J Kärger, SJ Goodbody, JS Rowlinson, K Watanabe, D MacGowan, D Nicholson, RD Noble, DJ Tildesley, JMD MacElroy, RM Lynden-Bell, KE Gubbins, B Vessal, P Ugliengo, DJ Morantz, JH Petropoulos
Journal of the Chemical Society Faraday Transactions
(1991)
87
Vapour-liquid equilibria of the hard core Yukawa fluid
B Smit, D Frenkel
Molecular Physics
(1991)
74
Qualitative models for the NMR chemical shifts of interstitial atoms in clusters
MJ Duer, DJ Wales
Polyhedron
(1991)
10
Tunable infrared–tunable ultraviolet double-resonance experiments on HCN
IWM Smith, JF Warr
J. Chem. Soc., Faraday Trans.
(1991)
87
Lithiations of mercaptoamines containing [double bond, length half m-dash]NC([double bond, length half m-dash]S)NH–,–NHC([double bond, length half m-dash]S)S– and –NHC([double bond, length half m-dash]S)NH– units: syntheses, crystal structures and model molecular-orbital calculations
DR Armstrong, RE Mulvey, D Barr, RW Porter, PR Raithby, TRE Simpson, R Snaith, DS Wright, K Gregory, P Mikulcik
J. Chem. Soc., Dalton Trans.
(1991)
Synthesis, structure and isomerism of [Mn2(μ-PPhR)2(CO)8] (R = H, alkyl, acyl or carboxylate); crystal structures of trans-[Mn2(μ-PPhR)2(CO)8] (R = H or COMe)
MP Brown, J Buckett, MM Harding, RM Lynden-Bell, MJ Mays, KW Woulfe
Dalton Transactions
(1991)
Photodissolution of silver in amorphous germanium sulphide films
JM Oldale, SR Elliott
Journal of Non-Crystalline Solids
(1991)
128
Athermal light-induced vitrification of As50Se50 films
SR Elliott, AV Kolobov
Journal of Non Crystalline Solids
(1991)
128
The aldol reaction for transition metal enolates
I Paterson
(1991)
2
STABILIZATION OF BARNASE BY AN INTERACTION BETWEEN 2 OPPOSITELY CHARGED SIDE-CHAINS
D SALI, M BYCROFT, AR FERSHT
TECHNIQUES IN PROTEIN CHEMISTRY II
(1991)
Composition and cation-vacancy distribution of cation-deficient MnFe spinel oxides
JMJ Mateos, W Jones, J Morales, JL Tirado
Journal of Solid State Chemistry
(1991)
93
VANADIUM(V) ENVIRONMENTS IN BISMUTH VANADATES - A STRUCTURAL INVESTIGATION USING RAMAN-SPECTROSCOPY AND SOLID-STATE V-51 NMR
FD Hardcastle, IE Wachs, H Eckert, DA Jefferson
Journal of Solid State Chemistry
(1991)
90
Novel scheme to compute chemical potentials of chain molecules on a lattice
GCAM Mooij, D Frenkel
Molecular Physics
(1991)
74
On the anisotropy of diffusion in nematic liquid crystals:Test of a modified affine transformation model via molecular dynamics
S Hess, D Frenkel, MP Allen
Molecular Physics
(1991)
74
Research note:Diode laser infrared spectroscopy of jet-cooled hexacarbonyls of chromium, molybdenum, and tungsten
J-R Burie, PB Davies, GM Hansford, NA Martin, J Gang, DK Russell
Molecular Physics
(1991)
74