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  • Currently displaying 23581 - 23600 of 29893 publications
Author(s)
Publication title
Journal Name
Publication year
A Theoretical Study of Catalytic Coupling of Propyne on Cu{111}
A Clotet, JM Ricart, F Illas, G Pacchioni, RM Lambert
Journal of the American Chemical Society
(2000)
122
Strong promotion by Na of Pt/γ-Al2O3 catalysts operated under simulated exhaust conditions
M Konsolakis, N Macleod, J Isaac, IV Yentekakis, RM Lambert
Journal of Catalysis
(2000)
193
Self-assembly of oligomeric porphyrin rings
RA Haycock, CA Hunter, DA James, U Michelsen, LR Sutton
Org Lett
(2000)
2
Surface Stoichiometry and the Initial Oxidation of NiAl(110)
AY Lozovoi, A Alavi, MW Finnis
Physical Review Letters
(2000)
85
The vibrations of H2O2, studied by "multimode," with a large amplitude motion
S Carter, NC Handy
The Journal of Chemical Physics
(2000)
113
Formation and seeding of amyloid fibrils from wild-type hen lysozyme and a peptide fragment from the β-domain 11Edited by P. E. Wright
MR Krebs, DK Wilkins, EW Chung, MC Pitkeathly, AK Chamberlain, J Zurdo, CV Robinson, CM Dobson
Journal of molecular biology
(2000)
300
Computation of electronic chemical potentials using free energy density functionals
R Vuilleumier, M Sprik, A Alavi
Journal of Molecular Structure: THEOCHEM
(2000)
506
Stabilisation of α-helices by site-directed mutagenesis reveals the importance of secondary structure in the transition state for acylphosphatase folding11Edited by C. R. Matthews
N Taddei, F Chiti, T Fiaschi, M Bucciantini, C Capanni, M Stefani, L Serrano, CM Dobson, G Ramponi
J Mol Biol
(2000)
300
Accurate predictions for molecular magnetisabilities and rotational g tensors using a simple and efficient DFT approach
PJ Wilson, RD Amos, NC Handy
Journal of Molecular Structure: THEOCHEM
(2000)
506
Protein Folding Transition States: Elicitation of Hammond Effects by 2,2,2-Trifluoroethanol
CP Yiu, MG Mateu, AR Fersht
Chembiochem
(2000)
1
Global minima of protonated water clusters
MP Hodges, DJ Wales
Chemical Physics Letters
(2000)
324
Powder MAS NMR lineshapes of quadrupolar nuclei in the presence of second-order quadrupole interaction
G Ajoy, J Ramakrishna, S Bahçeli, J Klinowski
Solid State Nuclear Magnetic Resonance
(2000)
16
MAGIC: an integrated computational environment for the modelling of heavy-atom chemistry
A Willetts, L Gagliardi, AG Ioannou, C-K Skylaris, S Spencer, NC Handy, AM Simper
International Reviews in Physical Chemistry
(2000)
19
Understanding protein folding via free-energy surfaces from theory and experiment.
AR Dinner, A Sali, LJ Smith, CM Dobson, M Karplus
Trends in Biochemical Sciences
(2000)
25
Sodium promotion of the NO+C3H6 reaction over Rh/γ-Al2O3 catalysts
N Macleod, J Isaac, RM Lambert
Journal of Catalysis
(2000)
193
Single-molecule analysis of DNA immobilized on microspheres.
MA Osborne, WS Furey, D Klenerman, S Balasubramanian
Analytical chemistry
(2000)
72
A compact monomeric intermediate identified by NMR in the denaturation of dimeric triose phosphate isomerase
CJ Morgan, DK Wilkins, LJ Smith, Y Kawata, CM Dobson
Journal of molecular biology
(2000)
300
Cr-doped Zr, Si-mesoporous molecular sieves as catalysts of CH2Cl2 oxidation
J Janas, R Janik, T Machej, EM Serwicka, E BielaƄska, E Bastardo-Gonzalez, W Jones
Catalysis Today
(2000)
59
Metal-driven self assembly of C-3 symmetry molecular cages
F Felluga, P Tecilla, L Hillier, CA Hunter, G Licini, P Scrimin
Chemical Communications
(2000)
Molecular insight into the non-innocence of a silica-support: the structure of a platinum–silsesquioxane derivative
EA Quadrelli, JE Davies, BFG Johnson, N Feeder
Chemical Communications
(2000)