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  • Currently displaying 27021 - 27040 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
DJ Wales
\molphys
(1991)
74
PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
J CLEROUIN, G ZERAH, JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
AN INTRODUCTION TO MOLECULAR-DYNAMICS, WITH APPLICATIONS TO THE GLASS-TRANSITION
JP HANSEN
COMPUTER SIMULATION IN MATERIALS SCIENCE
(1991)
205
rearrangements in polyhedral boranes and metal clusters
DMP Mingos, DJ Wales
electron deficient boron and carbon clusters
(1991)
BASIC CONCEPTS AND TOOLS OF LIQUID-STATE THEORY
JP HANSEN
HYDROGEN-BONDED LIQUIDS
(1991)
329
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
J Uppenbrink, DJ Wales
\jcsft
(1991)
87
Transformation of cyclic α-phenylthio aldehydes by stereoselective aldol reactions and phenylthio migration into spirocyclic lactones and ethers, and E -allylic alcohols with 1,4-related chiral centres
VK Aggarwal, I Coldham, S McIntyre, S Warren
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1991)
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
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
Calculating the rate of loss of information from chaotic time series by forecasting
DJ Wales
Nature
(1991)
350
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
Theoretical assignment of the visible spectrum of singlet methylene
WH Green, NC Handy, PJ Knowles, S Carter
The Journal of Chemical Physics
(1991)
94
Tunable infrared–tunable ultraviolet double-resonance experiments on HCN
IWM Smith, JF Warr
J. Chem. Soc., Faraday Trans.
(1991)
87
Isomorphous substitution in non-linear optical KTiOPO4. Powder diffraction and magic angle spinning nuclear magnetic resonance study of (K½Na½)TiOPO4and (Rb½Na½)TiOPO4
SJ Crennell, JJ Owen, CP Grey, AK Cheetham, JA Kaduk, RH Jarman
J. Mater. Chem.
(1991)
1
Medium-range structural order in covalent amorphous solids
SR Elliott
Nature
(1991)
354
Future aircraft and global ozone
S BEKKI, R TOUMI, JA PYLE, AE JONES
Nature
(1991)
354
Holographic images of iodine atoms on a silver surface from electron emission patterns
P Hu, DA King
Nature
(1991)
353
Energy and structure of the transition states in the reaction OH + CO ? H + CO2
MJ Frost, P Sharkey, IWM Smith
Faraday Discussions
(1991)
91
Highly vibrationally excited oxygen as a potential source of ozone in the upper stratosphere and mesosphere
R Toumi, BJ Kerridge, JA Pyle
Nature
(1991)
351
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)