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  • Currently displaying 27941 - 27960 of 30551 publications
Author(s)
Publication title
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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
J. Chem. Soc., Faraday Trans.
(1991)
87
Tunable infrared–tunable ultraviolet double-resonance experiments on HCN
IWM Smith, JF Warr
J. Chem. Soc., Faraday Trans.
(1991)
87
General discussion
IWM Smith, JJ Valentini, DM Neumark, MNR Ashfold, M González, F Temps, A Laganà, JM Alvariño, LM Quintales, JC Polanyi, R Grice, DG Truhlar, KG McKendrick, FJ Aoiz, RS Mackay, Q-X Xu, VW-K Wu, DC Clary, B Soep, G Schatz, MS Child, M Shapiro, AH Zewail, H Metiu, JMC Plane, G Gerber, JE Combariza, J Manz, GK Paramonov, S Görtler, JP Simons, K Morokuma, E Kolba, R Kosloff, F Sondermann, VJ Herrero, VS Rábanos, KH Welge, B Girard, DE Manolopoulos, P Casavecchia, N Balucani, L Beneventi, D Stranges, GG Volpi, JM Bowman, RA Marcus, RT Pack, GA Parker, JNL Connor, DC Chatfield, RS Friedman, MGC Lynch, R Foster, MJ Frost, H Hippler, A Schlepegrell, J Troe, K-H Gericke, MH Alexander, PJ Dagdigian, SG Clement, JD Howe, CM Western, RN Dixon, PJ Sarre
Faraday Discuss. Chem. Soc.
(1991)
91
STRUCTURE AND DYNAMICS OF REACTIVE TRANSITION-STATES - GENERAL DISCUSSION
A HODGSON, BE HAYDEN, DG TRUHLAR, R RANDALL, T TRUONG, AW KLEYN, J MANZ, MH ALEXANDER, S HOLLOWAY, AD BUCKINGHAM, ST CEYER, JJ VALENTINI, M SHAPIRO, MHP ARDEBILI, CJ HUGHES, JC WHITEHEAD, R GRICE, MA CHESTERS, JC POLANYI, RA MARCUS, H METIU, AH ZEWAIL
FARADAY DISCUSS
(1991)
91
Theoretical assignment of the visible spectrum of singlet methylene
WH Green, NC Handy, PJ Knowles, S Carter
The Journal of Chemical Physics
(1991)
94
Synthesis, structure and isomerism of [Mn 2 (µ-PPhR) 2 (CO) 8 ](R = H, alkyl, acyl or carboxylate); crystal structures of trans -[Mn 2 (µ-PPhR) 2 (CO) 8 ](R = H or COMe)
MP Brown, J Buckett, MM Harding, RM Lynden-Bell, MJ Mays, KW Woulfe
J. Chem. Soc., Dalton Trans.
(1991)
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
Dalton Transactions
(1991)
NOVEL ROUTES TO INOSITOL PHOSPHATES USING PSEUDOMONAS-PUTIDA OXIDATION OF ARENES
SV LEY, AJ REDGRAVE, LL YEUNG
ACS SYMPOSIUM SERIES
(1991)
463
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
J Uppenbrink, DJ Wales
\jcsft
(1991)
87
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
JP HANSEN
HYDROGEN-BONDED LIQUIDS
(1991)
329
rearrangements in polyhedral boranes and metal clusters
DMP Mingos, DJ Wales
electron deficient boron and carbon clusters
(1991)
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
DMP MINGOS, DJ WALES
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
METHODS FOR CALCULATING INTERMOLECULAR POTENTIAL-ENERGY SURFACES
AJ STONE
HYDROGEN-BONDED LIQUIDS
(1991)
329
LOCAL INTERPRETATION OF CHAOTIC DYNAMICS IN A MANY-BODY CLASSICAL HAMILTONIAN SYSTEM
DJ Wales, RS Berry
J. Phys. B
(1991)
24
"Characterisation of Unfolded and Partially Folded States of Proteins by NMR Spectroscopy", in Conformations and Forces in Protein Folding
CM Dobson, C Hanley, SE Radford, J Baum, PA Evans
(1991)
Terpenoid biosynthesis and the stereochemistry of enzyme-catalysed allylic addition-elimination reactions
DE Cane, C Abell, PHM Harrison, BR Hubbard, CT Kane, R Lattman, JS Oliver, SW Weiner
(1991)
332
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
DJ Wales
\molphys
(1991)
74
The aldol reaction for transition metal enolates
I Paterson
(1991)
2
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