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- Currently displaying 23461 - 23480 of 29673 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)
Computation of electronic chemical potentials using free energy density functionals
Computational and Theoretical Chemistry
(2000)
506
343
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)
Stabilisation of alpha-helices by site-directed mutagenesis reveals the importance of secondary structure in the transition state for acylphosphatase folding
Journal of molecular biology
(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
Chem. Phys. Lett.
(2000)
324
279-288
Understanding protein folding via free-energy surfaces from theory and experiment.
Trends in Biochemical Sciences
(2000)
25
331
Single-molecule analysis of DNA immobilized on microspheres.
Anal Chem
(2000)
72
3678
(doi: 10.1021/ac000129r)
Sodium Promotion of the NO+C3H6 Reaction over Rh/γ-Al2O3 Catalysts
Journal of Catalysis
(2000)
193
115
(doi: 10.1006/jcat.2000.2882)
Powder MAS NMR lineshapes of quadrupolar nuclei in the presence of second-order quadrupole interaction.
Solid State Nucl Magn Reson
(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)
A compact monomeric intermediate identified by NMR in the denaturation of dimeric triose phosphate isomerase
J Mol Biol
(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 C3 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)