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- Currently displaying 21961 - 21980 of 30846 publications
Ab initio molecular dynamics study of uracil in aqueous solution
The Journal of Physical Chemistry B
(2004)
108
7458
(doi: 10.1021/jp049940m)
Field-evaporation from first-principles
Molecular Physics
(2004)
102
1045
(doi: 10.1080/00268970410001727673)
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
Molecular Physics
(2004)
102
857
(doi: 10.1080/00268970410001695688)
Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum
Molecular Physics
(2004)
102
869
(doi: 10.1080/00268970410001695679)
Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for finidazole and 5-azauracil
Molecular Physics
(2004)
102
1067
(doi: 10.1080/00268970412331284208)
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
Transferable polarizabilities for the alkanes
Molecular Physics
(2004)
102
985
(doi: 10.1080/00268970410001723000)
An addressable antibody nanoarray produced on a nanostructured surface.
Journal of the American Chemical Society
(2004)
126
6508
(doi: 10.1021/ja0317426)
Rhodium Complexes of Sterically Demanding Diphosphonites: Coordination Chemistry and Catalysis
Organometallics
(2004)
23
3177
(doi: 10.1021/om0498899)
Multi‐Step Application of Immobilized Reagents and Scavengers: A Total Synthesis of Epothilone C
Chemistry A European Journal
(2004)
10
2529
(doi: 10.1002/chem.200305669)
Hydrothermal synthesis and magnetic properties of novel Mn( ii ) and Zn( ii ) materials with thiolato-carboxylate donor ligand frameworks
Dalton Trans.
(2004)
4
1670
(doi: 10.1039/b401887g)
(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid : the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases
Organic & biomolecular chemistry
(2004)
2
1592
(doi: 10.1039/b404535a)
Prefibrillar Amyloid Protein Aggregates Share Common Features of Cytotoxicity*
The Journal of biological chemistry
(2004)
279
31374
(doi: 10.1074/jbc.M400348200)
An intramolecular organocatalytic cyclopropanation reaction.
Angew Chem Int Ed Engl
(2004)
43
2681
(doi: 10.1002/anie.200454007)
Designing a metal-binding site in the scaffold of Escherichia coli KDO8PS
Protein engineering, design & selection : PEDS
(2004)
17
383
(doi: 10.1093/protein/gzh046)
Projection-reconstruction technique for speeding up multidimensional NMR spectroscopy.
J Am Chem Soc
(2004)
126
6429
(doi: 10.1021/ja049432q)
Short amino acid stretches can mediate amyloid formation in globular proteins: The Src homology 3 (SH3) case
Proc Natl Acad Sci U S A
(2004)
101
7258
(doi: 10.1073/pnas.0308249101)
Rapid neutral-neutral reactions at low temperatures: a new network and first results for TMC-1
Monthly Notices of the Royal Astronomical Society
(2004)
350
323
Evolving cascades: The Claisen rearrangement in the development of tandem sequences of three or more reactions
Chemtracts
(2004)
17
235
