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- Currently displaying 21501 - 21520 of 29893 publications
A simulation study of vibrational relaxation of I-3 in liquids
Molecular Physics
(2003)
101
1641
(doi: 10.1080/0026897031000078685)
Electrostatic interactions of charges and dipoles near a polarizable membrane
Molecular Physics
(2003)
101
1575
(doi: 10.1080/0026897021000050848)
Dynamic pruned-enriched Rosenbluth method
Molecular Physics
(2003)
101
1675
(doi: 10.1080/0026897031000094461)
Where do the H atoms reside in PdHx systems?
Molecular Physics
(2003)
101
1781
(doi: 10.1080/0026897031000094489)
Lattice-model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing
Journal of Chemical Physics
(2003)
118
10343
(doi: 10.1063/1.1572462)
A total synthesis of epothilones using solid-supported reagents and scavengers.
Angew Chem Int Ed Engl
(2003)
42
2521
(doi: 10.1002/anie.200351413)
Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study
Chemical Physics Letters
(2003)
374
85
Ab initio study of rearrangements between C60 fullerenes
Chemical Physics Letters
(2003)
374
125
Potent New Heterogeneous Asymmetric Catalysts
Helvetica Chimica Acta
(2003)
86
1753
(doi: 10.1002/hlca.200390145)
The Development of a Practical Total Synthesis of Discodermolide, a Promising MicrotubuleāStabilizing Anticancer Agent
European Journal of Organic Chemistry
(2003)
2003
2193
(doi: 10.1002/ejoc.200300061)
6Li MAS NMR and in situ X-ray studies of lithium nickel manganese oxides
Journal of Power Sources
(2003)
119
{649-653}
Structural insights into the evolution of the pantothenate-biosynthesis pathway
Biochem Soc Trans
(2003)
31
563
(doi: 10.1042/bst0310563)
Lithium MAS NMR studies of cathode materials for lithium-ion batteries
Solid State Sciences
(2003)
5
{883-894}
Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times
The Journal of Chemical Physics
(2003)
118
9814
(doi: 10.1063/1.1570408)
Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction
The Journal of Chemical Physics
(2003)
118
9882
(doi: 10.1063/1.1569473)
Experiences with the shikimate-pathway enzymes as targets for rational drug design
Biochem Soc Trans
(2003)
31
548
(doi: 10.1042/bst0310548)
Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
(2003)
59
1881
Adsorption energies and geometries of phenol on the (111) surface of nickel: An ab initio study
Physical Review B Condensed Matter and Materials Physics
(2003)
67
193406
(doi: 10.1103/PhysRevB.67.193406)