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- Currently displaying 20201 - 20220 of 29308 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(mu-NtBu)](2)(mu-NH)(5)]center dot I(-)[Li(thf)(4)](+) and [[P(mu-NtBu)(2)(mu-NH)(5)]center dot HBr-THF
Chemistry A European Journal
(2004)
10
6066
(doi: 10.1002/chem.200400320)
MD simulations of spontaneous membrane protein/detergent micelle formation.
J Am Chem Soc
(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.
Organic & biomolecular chemistry
(2004)
2
3608
(doi: 10.1039/b412788a)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
Journal of medicinal chemistry
(2004)
47
6569
(doi: 10.1021/jm049611i)
Water-soluble hydroxyalkylated phosphines: Examples of their differing behaviour toward ruthenium and rhodium
Dalton Transactions
(2004)
4202
(doi: 10.1039/b411701h)
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
Organic Letters
(2004)
6
4647
(doi: 10.1021/ol0484052)
The Folding of Spectrin Domains II: Phi-value Analysis of R16
J Mol Biol
(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(TpMe2,4-Et)2NO2]
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)
