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  • Currently displaying 25581 - 25600 of 29293 publications
Author(s)
Publication title
Journal Name
Publication year
GRADIENT CORRECTIONS IN DENSITY-FUNCTIONAL THEORY CALCULATIONS FOR SURFACES - CO ON PD(110)
P Hu, DA King, S Crampin, M-H Lee, MC Payne
Chemical Physics Letters
(1994)
230
Bioinformatics and drug discovery
P Murray-Rust
Current opinion in biotechnology
(1994)
5
Isostructural solid-solid transition in crystalline systems with short-ranged interaction
P Bolhuis, M Hagen, D Frenkel
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics
(1994)
50
Transition vector symmetry and the internal pseudo-rotation and inversion paths of CIF 4 +
RM Minyaev, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1994)
90
27Al and 29Si solid-state NMR studies of dealuminated mordenite
J Barras, J Klinowski, DW McComb
Physical Chemistry Chemical Physics
(1994)
90
Biosynthesis of vitamin B12: Use of specific 13C-labelling for structural studies on factor IV
AID Alanine, K Ichinose, D Thibaut, L Debussche, N Patrick, J Stamford, FJ Leeper, F Blanche, AR Battersby
Chemical Communications
(1994)
GRADIENT-LINE REACTION PATHS FOR 1,2 H SHIFT REACTIONS IN PHOSPHINONITRENE AND FORMALDEHYDE, AND H2 ELIMINATION FROM FORMALDEHYDE
RM Minyaev, DJ Wales
Journal of the Chemical Society Faraday Transactions
(1994)
90
Meldola Lecture. The role of aromatic interactions in molecular recognition
CA Hunter
Chemical Society Reviews
(1994)
23
MECHANISM OF ATMOSPHERIC OXIDATION OF 1,1,1,2-TETRAFLUOROETHANE (HFC-134A)
OV Rattigan, DM Rowley, O Wild, RL Jones, RA Cox
Journal of the Chemical Society Faraday Transactions
(1994)
90
Numerical study of the phase diagram of a mixture of spherical and rodlike colloids
P Bolhuis, D Frenkel
The Journal of Chemical Physics
(1994)
101
Biosynthesis of vitamin B12: mechanistic studies on the transfer of a methyl group from C-11 to C-12 and incorporation of 18O
Y Li, AID Alanine, RA Vishwakarma, S Balachandran, FJ Leeper, AR Battersby
Chemical Communications
(1994)
Directed Macrocyclization Reactions
FJ Carver, CA Hunter, RJ Shannon
Journal of the Chemical Society, Chemical Communications
(1994)
Pillared acid-activated clay catalysts
R Mokaya, W Jones
Journal of the Chemical Society, Chemical Communications
(1994)
The crystal structure of quinacridone: an archetypal pigment
GD Potts, W Jones, JF Bullock, SJ Andrews, SJ Maginn
Journal of the Chemical Society, Chemical Communications
(1994)
A new class of photochromic compounds exemplified by E-5-dicyanomethylene- 4-(dialkyl and dicycloalkyl)methylene[1-(2,5-methyl-3-furyl) and (2-methyl-5-phenyl-3-thienyl)ethylidene]tetrahydrofuran-2-ones
HG Heller, DS Hughes, MB Hursthouse, KVS Kon
Chemical Communications
(1994)
Topography of potential-energy surfaces for Van der Waals complexes
PLA Popelier, AJ Stone, DJ Wales
Faraday Discussions
(1994)
97
BIOSYNTHESIS OF VITAMIN-B-12 - STUDIES OF THE OXIDATIVE AND LACTONE-FORMING STEPS BY O-18-LABELING
AID Alanine, Y Li, NPJ Stamford, FJ Leeper, F Blanche, L Debussche, AR Battersby
Journal of the Chemical Society, Chemical Communications
(1994)
Stereochemistry of reduction of a heterocyclic α-hydroxy-ketone: The structure, conformation and preparation of the syn and anti-3,3,6,6-tetramethylthiepan-4,5-diols
N Feeder, MJ Ginnelly, RVH Jones, S O'Sullivan, S Warren
Tetrahedron Letters
(1994)
35
Manipulation of the aldol adducts from lactate-derived ketones. A versatile chiral auxiliary for the asymmetric synthesis of β-hydroxy carbonyl compounds
I PATERSON, DJ WALLACE
Tetrahedron Letters
(1994)
35
Studies in polypropionate synthesis: High π-face selectivity in syn and anti aldol reactions of chiral boron enolates of lactate-derived ketones
I PATERSON, DJ WALLACE, SM VELAZQUEZ
Tetrahedron Letters
(1994)
35