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  • Currently displaying 25041 - 25060 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
Quantum mechanics in chemistry - Simons,J, Nichols,J
NC Handy, D Palmer
Nature
(1997)
388
Anharmonic constants for benzene
NC Handy, A Willetts
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
(1997)
53
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
D Marx, M Sprik, M Parrinello
Chemical Physics Letters
(1997)
273
Structural and Dynamical Properties of a Denatured Protein. Heteronuclear 3D NMR Experiments and Theoretical Simulations of Lysozyme in 8 M Urea †
H Schwalbe, KM Fiebig, M Buck, JA Jones, SB Grimshaw, A Spencer, SJ Glaser, LJ Smith, CM Dobson
Biochemistry
(1997)
36
On the shapes of newton's revolving orbits
D Lynden-Bell, RM Lynden-Bell
Notes and Records of the Royal Society
(1997)
51
''Paddle-wheel'' tris(cyclopentadienyl)tin(II) and -lead(II) complexes: Syntheses, structures, and model MO calculations
DR Armstrong, MJ Duer, MG Davidson, D Moncrieff, CA Russell, C Stourton, A Steiner, D Stalke, DS Wright
Organometallics
(1997)
16
Haem d1: stereoselective synthesis of the macrocycle to establish its absolute configuration as 2R,7R 1
J Micklefield, M Beckmann, RL Mackman, MH Block, FJ Leeper, AR Battersby
Journal of the Chemical Society, Perkin Transactions 1
(1997)
Haem d 1 : stereoselective synthesis of the reduced form of its parent macrocycle using the original coupling strategy
CJ Aucken, FJ Leeper, AR Battersby
Journal of the Chemical Society, Perkin Transactions 1
(1997)
Haem d1: development of a new coupling procedure leading to the synthesis of isobacteriochlorins 1
RL Mackman, J Micklefield, MH Block, FJ Leeper, AR Battersby
Journal of the Chemical Society, Perkin Transactions 1
(1997)
Direct preparation of diacetals from 1,2-diketones and their use as 1,2-diol protecting groups
A Hense, SV Ley, HMI Osborn, DR Owen, J-F Poisson, SL Warriner, KE Wesson
Journal of the Chemical Society, Perkin Transactions 1
(1997)
A new synthetic route to allylsilanes: the reaction of silyllithium reagents with aromatic carbonyl compounds and aluminium tris(2,6-diphenylphenoxide) (ATPH)
S Saito, K Shimada, H Yamamoto, EM de Marigorta, I Fleming
Chemical Communications
(1997)
Modelling the out-of-phase oscillatory catalytic production of N2O from NO reduction on Pt{100}
AV Walker, M Gruyters, DA King
Surface Science
(1997)
384
Electrostatic implications for Sb-mediated growth of Ge on the Si(001) surface
SJ Jenkins, GP Srivastava
Surface Science
(1997)
384
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 5HT1B/1D Receptor Antagonists
GP Moloney, AD Robertson, GR Martin, S MacLennan, N Mathews, S Dodsworth, PY Sang, C Knight, R Glen
J Med Chem
(1997)
40
Entropy difference between crystal phases
PG Bolhuis, D Frenkel, S-C Mau, DA Huse
Nature
(1997)
388
Efficiency of Proton Transfer Catalysis in Models and Enzymes
AJ Kirby
Accounts of Chemical Research
(1997)
30
Structure and spectroscopy of (HCN)(n) clusters: Cooperative and electronic delocalization effects in C-H center dot center dot center dot N hydrogen bonding - Comment
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
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