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  • Currently displaying 26461 - 26480 of 30213 publications
Author(s)
Publication title
Journal Name
Publication year
Implementation of Analytic Derivative Density Functional Theory codes on scalar and parallel architectures
DJ Tozer, ME Mura, RD Amos, NC Handy
E.C.C.C. 1 COMPUTATIONAL CHEMISTRY
(1995)
330
Senile neurodegeneration: Pathogenic role of microglia-derived free radicals
PH EVANS, E PETERHANS, T BURGE, J KLINOWSKI, E YANO
OXIDATIVE STRESS AND AGING
(1995)
Infrared laser spectroscopy of short-lived atoms and molecules
PB Davies
INTRODUCTION TO LASER SPECTROSCOPY
(1995)
The adsorption of methanol on NiOx/Ni{110}. Defect-controlled dissociation
HE Sanders, P Gardner, DA King
Chemical Physics Letters
(1994)
231
PRESSURE AND TEMPERATURE-DEPENDENCE OF THE RATE CONSTANTS FOR THE ASSOCIATION REACTION OF OH RADICALS WITH NO BETWEEN 301-K AND 23-K
P Sharkey, IR Sims, IWM Smith, P Bocherel, BR Rowe
Journal of the Chemical Society, Faraday Transactions
(1994)
90
Conformation of GroEL-bound alpha-lactalbumin probed by mass spectrometry.
CV Robinson, M Gross, SJ Eyles, JJ Ewbank, M Mayhew, FU Hartl, CM Dobson, SE Radford
Nature
(1994)
372
Anti aldol reactions of lactate-derived ketones: Application to the total synthesis of (-)-ACRL toxin IIIB
I PATERSON, DJ WALLACE
Tetrahedron Letters
(1994)
35
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
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
(1994)
50
Meldola Lecture - the Role of Aromatic Interactions in Molecular Recognition
CA Hunter
Chemical Society Reviews
(1994)
23
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
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
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
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
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
Journal of the Chemical Society, Chemical Communications
(1994)
Numerical study of the phase diagram of a mixture of spherical and rodlike colloids
P Bolhuis, D Frenkel
Journal of Chemical Physics
(1994)
101
Biosynthesis of vitamin B 12 : studies of the oxidative and lactone-forming steps by 18 O-labelling
AID Alanine, Y Li, NPJ Stamford, FJ Leeper, F Blanche, L Debussche, AR Battersby
Journal of the Chemical Society, Chemical Communications
(1994)
Directed macrocyclisation reactions
FJ Carver, CA Hunter, RJ Shannon
Journal of the Chemical Society, Chemical Communications
(1994)