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  • Currently displaying 22661 - 22680 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98-99
The superstructure of lead tetragonal tungsten bronze
SK Haydon, DA Jefferson
Journal of Solid State Chemistry
(2002)
168
New Directions: Mobile laboratory reveals new issues in urban air quality
PW Seakins, DL Lansley, A Hodgson, N Huntley, F Pope
Atmospheric Environment
(2002)
36
Diode Laser Spectrum of the ν1 Fundamental Band of PNO
Y Liu, PA Hamilton, PB Davies
Journal of Molecular Spectroscopy
(2002)
211
OmpA: A pore or not a pore? Simulation and modeling studies
PJ Bond, JD Faraldo-Gómez, MSP Sansom
Biophys J
(2002)
83
New Look and New Outlook
WA Hendrickson, C-I Brändén, AR Fersht
Structure
(2002)
10
Ag-catalysed epoxidation of propene and ethene:: an investigation using electrochemical promotion of the effects of alkali, NOx, and chlorine
A Palermo, A Husain, MS Tikhov, RM Lambert
Journal of Catalysis
(2002)
207
Self-assembly of porphyrin arrays
L Baldini, CA Hunterf
Advances in Inorganic Chemistry, Vol 53
(2002)
53
Diatomics-in-Molecules Potentials Incorporating ab initio\/ Data: Application to Ionic, Rydberg-Excited, and Molecule-Doped Rare Gas Clusters
FY Naumkin, DJ Wales
Compu. Phys. Comm.
(2002)
145
Coverage dependence of the dissociative sticking probability of methane on Pt(1 1 0)-(1 × 2)
DTP Watson, J van Dijk, JJW Harris, DA King
Surface Science
(2002)
506
Biophysical studies of the development of amyloid fibrils from a peptide fragment of cold shock protein B.
DK Wilkins, CM Dobson, M Gross
Eur J Biochem
(2001)
267
Preparation of recombinant tissue inhibitor of metalloproteinases‐1 (TIMP‐1) in high yield and identification of a hydrophobic surface feature
DJ Hodges, DG Reid, AD Rowan, IM Clark, TE Cawston
European journal of biochemistry
(2001)
257
Boron-mediated aldol reactions of ethyl alpha-(N,N)-dibenzylamino ketones: control of enolisation geometry and aldehyde pi-facial selectivity
I Paterson, AC Mackay
Tetrahedron Letters
(2001)
42
Zirconocene-mediated, high-yielding macrocyclizations of silyl-terminated diynes
LL Schafer, JR Nitschke, SSH Mao, F-Q Liu, G Harder, M Haufe, TD Tilley
Chemistry (Weinheim an der Bergstrasse, Germany)
(2001)
8
Facile H-D exchange in adsorbed methylidyne on Pt(110)-(1×2) and deuteration to gaseous methane
DTP Watson, Q Ge, DA King
The Journal of Chemical Physics
(2001)
115
Characterization of the Co(2+) and Ni(2+) binding amino-acid residues of the N-terminus of human albumin. An insight into the mechanism of a new assay for myocardial ischemia.
D Bar-Or, G Curtis, N Rao, N Bampos, E Lau
European journal of biochemistry
(2001)
268
A further clue to understanding the mobility of mitochondrial yeast cytochrome c: a (15)N T1rho investigation of the oxidized and reduced species.
PD Barker, I Bertini, R Del Conte, SJ Ferguson, P Hajieva, E Tomlinson, P Turano, MS Viezzoli
European journal of biochemistry
(2001)
268
Brownian dynamics with constraints
TO WHITE, G CICCOTT, J-P HANSEN
Molecular Physics
(2001)
99
Torsional effects on reactivity in glycosyl transfer
KES Dean, AJ Kirby, IV Komarov
Journal of the Chemical Society, Perkin Transactions 2
(2001)
Modification of the solid-state structure of bis(1-hydroxy-2(1H)-pyridinethiolato-S2,O)zinc(II): Synthesis and characterisation of a molecular solid solution incorporating 3-hydroxy-4-methyl-2(3H)-thiazolethione
AD Bond, F Benevelli, W Jones
Journal of Materials Chemistry
(2001)
12