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  • Currently displaying 28221 - 28240 of 30876 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
Physical Chemistry Chemical Physics
(1991)
87
Two-dimensional J-resolved 13C 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
Proceedings of the National Academy of Sciences of the United States of America
(1991)
88
Central or distributed multipole moments? Electrostatic models of aromatic dimers
PW Fowler, AD Buckingham
Chemical Physics Letters
(1991)
176
Photoinduced defects in amorphous chalcogenides: Similarity and dissimilarity to the staebler-wronski effect
K Shimakawa, S Inami, SR Elliott
Journal of Non Crystalline Solids
(1991)
137-138
Microbial Oxidation in Synthesis: Preparation of Novel 3-Substitutedcis-Cyclohexa-3,5-diene-1,2-diol Derivatives from (1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol
S Ley*, A Redgrave, S Taylor, S Ahmed, D Ribbons
Synlett
(1991)
1991
Enol Borinates in Organic Synthesis: Regioselective α-Sulphenylation and α-Selenenylation of Ketones
I PATERSON, S OSBORNE
Synlett
(1991)
1991
Structure–activity studies on amides inhibiting photosystem II
RJ Lewis, P Camilleri, AJ Kirby, CA Marby, AA Slawin, DJ Williams
J. Chem. Soc., Perkin Trans. 2
(1991)
Chapter 7 The Champagne Route to Avermectins and Milbemycins
SV Ley, A Armstrong
(1991)
3
A STUDY ON THE REACTION-MECHANISM OF METHANOL CONVERSION TO HYDROCARBONS BY SOLID-STATE NMR AND GAS-CHROMATOGRAPHY ON A SAPO-34 CATALYST
Y XU, C GREY, J THOMAS, A CHEETHAM
CATALYTIC SCIENCE AND TECHNOLOGY, VOL 1
(1991)
1
Liquides, cristallisation et transition vitreuse = Liquids, freezing and glass transition
JP Hansen, D Levesque, J Zinn-Justin
Proceedings of the 51st session of the École d’été de physique théorique, Les Houches, 1989 and also forming a NATO Advanced Study Institute
(1991)
2 vols
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
Lecture Notes on: Free-Energy Calculations
D Frenkel
(1991)
A vectorisable algorithm for calculating three-body interactions
LJ Alvarez, A Alavi, JI Siepmann
Computer Physics Communications
(1991)
62
Professor R. B. Bernstein: An appreciation
AD Buckingham
Faraday Discussions
(1991)
91
Energy and structure of the transition states in the reaction OH + CO → H + CO 2
MJ Frost, P Sharkey, IWM Smith
Faraday Discussions
(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
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
rearrangements in polyhedral boranes and metal clusters
DMP Mingos, DJ Wales
electron deficient boron and carbon clusters
(1991)