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  • Currently displaying 26061 - 26080 of 30819 publications
Author(s)
Publication title
Journal Name
Publication year
Exchange-correlation functionals from ab initio electron densities
DJ Tozer, NC Handy, WH Green
Chemical Physics Letters
(1997)
273
A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT(1B/1D) receptor antagonists
GP Moloney, AD Robertson, GR Martin, S MacLennan, N Mathews, S Dodsworth, PY Sang, C Knight, R Glen
Journal of Medicinal Chemistry
(1997)
40
Efficiency of Proton Transfer Catalysis in Models and Enzymes †
AJ Kirby
Accounts of Chemical Research
(1997)
30
Comment on “Structure and spectroscopy of (HCN)n clusters: Cooperative and electronic delocalization effects in C–H⋯N hydrogen bonding” [J. Chem. Phys. 103 , 333 (1995)]
AJ Stone, AD Buckingham, PW Fowler
The Journal of Chemical Physics
(1997)
107
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
DJ Wales, JPK Doye
The Journal of Physical Chemistry A
(1997)
101
Infrared laser absorption spectroscopy of rotational and vibration rotational transitions of HeH+ up to the dissociation threshold
Z Liu, PB Davies
Journal of Chemical Physics
(1997)
107
Detection of residue contacts in a protein folding intermediate
J Balbach, V Forge, WS Lau, JA Jones, NA van Nuland, CM Dobson
Proceedings of the National Academy of Sciences of the United States of America
(1997)
94
Molybdenum(II)-catalyzed allylic substitution
AV Malkov, I Baxendale, DJ Mansfield, P Kočovsky
Tetrahedron Letters
(1997)
38
The promotion of air oxidation and carbonyl substitution reactions of [(η 5 -C 5 H 5 ) 2 Mo 2 (CO) 4 (µ-RCCR′)] by trimethylamine N-oxide or nitrosonium tetrafluoroborate: the synthesis of [(η 5 -C 5 H 5 ) 2 Mo 2 (O) 2 (µ-O)(µ-RCCR′)] (R = R′ = CO 2 Me or Ph; R = H, R′ = Ph; or R = H, R′ = CO 2 Me) and [(η 5 -C 5 H 5 ) 2 Mo 2 (CO) 3 (NO)(µ-RCCR′)][BF 4 ] (R = R′ = CO 2 Me, Me or H; or R = H, R′ = CO 2 Me)
JC Stichbury, MJ Mays, JE Davies, PR Raithby, GP Shields
Dalton Transactions
(1997)
Synthesis and structure of [Sb{(PriN)2CNHPri}{(Pr iN)2CNPri}]; a distorted trigonal-bipyramidal antimony(iii) complex with a helical hydrogen-bond network
PJ Bailey, RO Gould, CN Harmer, S Pace, A Steiner, DS Wright
Chemical Communications
(1997)
Polymer Supported Perruthenate (PSP): A new oxidant for clean organic synthesis
B Hinzen, SV Ley
Journal of the Chemical Society, Perkin Transactions 1
(1997)
The aggregation of methane in aqueous solution
RL Mancera, AD Buckingham, NT Skipper
Physical Chemistry Chemical Physics
(1997)
93
Hydrogen exchange in chymotrypsin inhibitor 2 probed by denaturants and temperature.
LS Itzhaki, JL Neira, AR Fersht
J Mol Biol
(1997)
270
Hydrogen exchange in chymotrypsin inhibitor 2 probed by mutagenesis
JL Neira, LS Itzhaki, DE Otzen, B Davis, AR Fersht
Journal of Molecular Biology
(1997)
270
The role of Glu73 of barnase in catalysis and the binding of barstar.
G Schreiber, C Frisch, AR Fersht
Journal of Molecular Biology
(1997)
270
Total and state-to-state rate coefficients for rotational energy transfer in collisions between NO(Chi(2)Pi) and He at temperatures down to 15 K
PL James, IR Sims, IWM Smith
Chemical Physics Letters
(1997)
272
Synthesis and characterization of the mesoporous silicate molecular sieve MCM-48
AA Romero, MD Alba, W Zhou, J Klinowski
Journal of Physical Chemistry B
(1997)
101
Polarizability of an electric double-layer
E Trizac, J-P Hansen
Comptes Rendus de l Académie des Sciences - Series IIB - Mechanics-Physics-Chemistry-Astronomy
(1997)
325
Understanding Molecular Simulation
D Frenkel, B Smit, J Tobochnik, SR McKay, W Christian
(1997)
11
Effects of three-body (Axilrod-Teller) forces on the classical and quantum behavior of rare-gas trimers
C Chakravarty, RJ Hinde, DM Leitner, DJ Wales
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(1997)
56