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- Currently displaying 23461 - 23480 of 29680 publications
Surface Stoichiometry and the Initial Oxidation of NiAl(110)
Phys Rev Lett
(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)
Accurate predictions for molecular magnetisabilities and rotational g tensors using a simple and efficient DFT approach
Journal of Molecular Structure THEOCHEM
(2000)
506
335
Computation of electronic chemical potentials using free energy density functionals
Journal of Molecular Structure THEOCHEM
(2000)
506
343
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)
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)
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
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)
Powder MAS NMR lineshapes of quadrupolar nuclei in the presence of second-order quadrupole interaction
Solid state nuclear magnetic resonance
(2000)
16
305
Sodium promotion of the NO+C3H6 reaction over Rh/γ-Al2O3 catalysts
Journal of Catalysis
(2000)
193
115
(doi: 10.1006/jcat.2000.2882)
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.
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 C3 symmetry molecular cages
Chemical Communications
(2000)
1087
(doi: 10.1039/b001628o)
Double fluorescence resonance energy transfer to explore multicomponent binding interactions: a case study of DNA mismatches
Chemical Communications
(2000)
1043
(doi: 10.1039/b002540m)
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)
High-resolution laser spectroscopy of the ν6 fundamental band of jet-cooled C2F6
The Journal of Physical Chemistry A
(2000)
104
6395
(doi: 10.1021/jp000737a)