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- Currently displaying 21661 - 21680 of 27826 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
Formation and seeding of amyloid fibrils from wild-type hen lysozyme and a peptide fragment from the β-domain
– Journal of Molecular Biology
(2000)
300,
541
(doi: 10.1006/jmbi.2000.3862)
Computation of electronic chemical potentials using free energy density functionals
– Computational and Theoretical Chemistry
(2000)
506,
343
Stabilisation of α-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)
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
MAGIC: An integrated computational environment for the modelling of heavy-atom chemistry
– International Reviews in Physical Chemistry
(2000)
19,
327
(doi: 10.1080/01442350050034162)
Powder MAS NMR lineshapes of quadrupolar nuclei in the presence of second-order quadrupole interaction
– Solid State Nucl Magn Reson
(2000)
16,
305
Sodium promotion of the NO+C3H6 reaction over Rh/gamma-Al2O3 catalysts
– Journal of Catalysis
(2000)
193,
115
(doi: 10.1006/jcat.2000.2882)
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)
A compact monomeric intermediate identified by NMR in the denaturation of dimeric triose phosphate isomerase11Edited by C. R. Matthes
– 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
Double fluorescence resonance energy transfer to explore multicomponent binding interactions: a case study of DNA mismatches
– Chemical Communications
(2000)
1043
(doi: 10.1039/b002540m)
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)
High-resolution laser spectroscopy of the nu(6) fundamental band of jet-cooled C2F6
– The Journal of Physical Chemistry A
(2000)
104,
6395
(doi: 10.1021/jp000737a)