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- Currently displaying 21321 - 21340 of 30197 publications
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)
Transferable polarizabilities for the alkanes
Molecular Physics
(2004)
102
985
(doi: 10.1080/00268970410001723000)
Ammonium cyanate: A DFT study of crystal structure, rotational barriers and vibrational spectrum
Molecular Physics
(2004)
102
869
(doi: 10.1080/00268970410001695679)
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
Molecular Physics
(2004)
102
857
(doi: 10.1080/00268970410001695688)
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
Special issue: In honour of Ruth Lynden-Bell
Molecular Physics
(2004)
102
827
(doi: 10.1080/00268970412331286918)
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)
Prefibrillar amyloid protein aggregates share common features of cytotoxicity.
J Biol Chem
(2004)
279
31374
(doi: 10.1074/jbc.M400348200)
(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.
Org Biomol Chem
(2004)
2
1592
(doi: 10.1039/b404535a)
Hydrothermal synthesis and magnetic properties of novel Mn( ii ) and Zn( ii ) materials with thiolato-carboxylate donor ligand frameworks
Dalton Transactions
(2004)
4
1670
(doi: 10.1039/b401887g)
An Intramolecular Organocatalytic Cyclopropanation Reaction
Angew Chem Int Ed Engl
(2004)
43
2681
(doi: 10.1002/anie.200454007)
Projection-reconstruction technique for speeding up multidimensional NMR spectroscopy
J Am Chem Soc
(2004)
126
6429
(doi: 10.1021/ja049432q)
Designing a metal-binding site in the scaffold of Escherichia coli KDO8PS
Protein Engineering Design and Selection
(2004)
17
383
(doi: 10.1093/protein/gzh046)
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)
Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former
The Journal of chemical physics
(2004)
120
8134
(doi: 10.1063/1.1690241)
A quantitative evaluation of the effects of inhibitors of tubulin assembly on polymerization induced by discodermolide, epothilone B, and paclitaxel.
Cancer chemotherapy and pharmacology
(2004)
53
397
(doi: 10.1007/s00280-003-0755-0)
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
