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- Currently displaying 20181 - 20200 of 29281 publications
Improving numerical integration through basis set expansion
Theoretical Chemistry Accounts
(2004)
112
410
(doi: 10.1007/s00214-004-0613-0)
Calculation of nuclear magnetic resonance shielding constants using potential-based methods
Chemical Physics Letters
(2004)
399
84
(doi: 10.1016/j.cplett.2004.09.112)
Representation and use of chemistry in the global electronic age
Organic and Biomolecular Chemistry
(2004)
2
3192
(doi: 10.1039/b410732b)
Open access and the Chemical Semantic Web.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
229
U601
Metal-carbon bond energies for adsorbed hydrocarbons from calorimetric data
Surface Science
(2004)
572
179
(doi: 10.1016/j.susc.2004.08.015)
One-state downhill versus conventional protein folding
J Mol Biol
(2004)
344
295
(doi: 10.1016/j.jmb.2004.09.069)
Selection of a Pentameric Host in the Host–Guest Complexes {[{[P(μ‐NtBu)]2(μ‐NH)}5]⋅I}−[Li(thf)4]+ and [{[P(μ‐NtBu)]2(μ‐NH)}5]⋅HBr⋅THF
Chemistry – A European Journal
(2004)
10
6066
(doi: 10.1002/chem.200400320)
MD simulations of spontaneous membrane protein/detergent micelle formation.
Journal of the American Chemical Society
(2004)
126
15948
(doi: 10.1021/ja044819e)
Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.
Org. Biomol. Chem.
(2004)
2
3618
(doi: 10.1029/b412790k)
Preparation of enantiopure butane-2,3-diacetals of glycolic acid and alkylation reactions leading to alpha-hydroxyacid and amide derivatives
Org Biomol Chem
(2004)
2
3608
(doi: 10.1039/b412788a)
Water-soluble hydroxyalkylated phosphines: examples of their differing behaviour toward ruthenium and rhodium
Dalton Trans
(2004)
4202
(doi: 10.1039/b411701h)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
J Med Chem
(2004)
47
6569
(doi: 10.1021/jm049611i)
Atomic vibrations in disordered systems: Comparison of disordered diamond lattices and a realistic amorphous silicon model
physica status solidi (c)
(2004)
1
2904
(doi: 10.1002/pssc.200405362)
A molecular dynamics simulation of the melting points and glass transition temperatures of myo- and neo-inositol.
Journal of Chemical Physics
(2004)
121
9565
(doi: 10.1063/1.1806792)
A Test for Homology: Photoactive Crystalline Assemblies Involving Linear Templates Based on a Homologous Series of Phloroglucinols
Org Lett
(2004)
6
4647
(doi: 10.1021/ol0484052)
The Folding of Spectrin Domains II: Phi-value Analysis of R16
Journal of molecular biology
(2004)
344
207
(doi: 10.1016/j.jmb.2004.09.023)
Origins of helix-coil switching in a light-sensitive peptide
Biochemistry
(2004)
43
15329
(doi: 10.1021/bi048152k)
The folding of spectrin domains I: wild-type domains have the same stability but very different kinetic properties.
Journal of Molecular Biology
(2004)
344
195
(doi: 10.1016/j.jmb.2004.09.037)
NO to NO2- conversion by divalent lanthanides: synthesis and crystal structure of [Sm(Tp(Me2,4-Et))(2)NO2]
Polyhedron
(2004)
23
2709
(doi: 10.1016/j.poly.2004.05.018)
Individual Molecules of Dye‐Labeled DNA Act as a Reversible Two‐Color Switch upon Application of an Electric Field
Angewandte Chemie
(2004)
116
6052
(doi: 10.1002/ange.200460323)
