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- Currently displaying 23581 - 23600 of 29893 publications
A Theoretical Study of Catalytic Coupling of Propyne on Cu{111}
Journal of the American Chemical Society
(2000)
122
7573
(doi: 10.1021/ja000583c)
Strong promotion by Na of Pt/γ-Al2O3 catalysts operated under simulated exhaust conditions
Journal of Catalysis
(2000)
193
330
(doi: 10.1006/jcat.2000.2888)
Surface Stoichiometry and the Initial Oxidation of NiAl(110)
Physical Review Letters
(2000)
85
610
(doi: 10.1103/PhysRevLett.85.610)
The vibrations of H2O2, studied by "multimode," with a large amplitude motion
The Journal of Chemical Physics
(2000)
113
987
(doi: 10.1063/1.481879)
Formation and seeding of amyloid fibrils from wild-type hen lysozyme and a peptide fragment from the β-domain 11Edited by P. E. Wright
Journal of molecular biology
(2000)
300
541
(doi: 10.1006/jmbi.2000.3862)
Computation of electronic chemical potentials using free energy density functionals
Journal of Molecular Structure: THEOCHEM
(2000)
506
343
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
J Mol Biol
(2000)
300
633
(doi: 10.1006/jmbi.2000.3870)
Accurate predictions for molecular magnetisabilities and rotational g tensors using a simple and efficient DFT approach
Journal of Molecular Structure: THEOCHEM
(2000)
506
335
Protein Folding Transition States: Elicitation of Hammond Effects by 2,2,2-Trifluoroethanol
Chembiochem
(2000)
1
49
Global minima of protonated water clusters
Chemical Physics Letters
(2000)
324
279-288
Powder MAS NMR lineshapes of quadrupolar nuclei in the presence of second-order quadrupole interaction
Solid State Nuclear Magnetic Resonance
(2000)
16
305
MAGIC: an integrated computational environment for the modelling of heavy-atom chemistry
International Reviews in Physical Chemistry
(2000)
19
327
(doi: 10.1080/01442350050034162)
Understanding protein folding via free-energy surfaces from theory and experiment.
Trends in Biochemical Sciences
(2000)
25
331
Sodium promotion of the NO+C3H6 reaction over Rh/γ-Al2O3 catalysts
Journal of Catalysis
(2000)
193
115
(doi: 10.1006/jcat.2000.2882)
Single-molecule analysis of DNA immobilized on microspheres.
Analytical chemistry
(2000)
72
3678
(doi: 10.1021/ac000129r)
A compact monomeric intermediate identified by NMR in the denaturation of dimeric triose phosphate isomerase
Journal of molecular biology
(2000)
300
11
(doi: 10.1006/jmbi.2000.3834)
Cr-doped Zr, Si-mesoporous molecular sieves as catalysts of CH2Cl2 oxidation
Catalysis Today
(2000)
59
241
Metal-driven self assembly of C-3 symmetry molecular cages
Chemical Communications
(2000)
1087
(doi: 10.1039/b001628o)
Molecular insight into the non-innocence of a silica-support: the structure of a platinum–silsesquioxane derivative
Chemical Communications
(2000)
1031
(doi: 10.1039/b000992j)