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  • Currently displaying 21501 - 21520 of 29893 publications
Author(s)
Publication title
Journal Name
Publication year
A simulation study of vibrational relaxation of I-3 in liquids
FS ZHANG, RM LYNDEN-BELL
Molecular Physics
(2003)
101
Electrostatic interactions of charges and dipoles near a polarizable membrane
R ALLEN, J-P HANSEN
Molecular Physics
(2003)
101
Dynamic pruned-enriched Rosenbluth method
N COMBE, TJH VLUGT, PRT WOLDE, D FRENKEL
Molecular Physics
(2003)
101
Dominique Levesque
J-P HANSEN, R LYNDEN-BELL
Molecular Physics
(2003)
101
Where do the H atoms reside in PdHx systems?
R CAPUTO, A ALAVI
Molecular Physics
(2003)
101
Lattice-model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing
W Hu, D Frenkel, VBF Mathot
Journal of Chemical Physics
(2003)
118
A total synthesis of epothilones using solid-supported reagents and scavengers.
RI Storer, T Takemoto, PS Jackson, SV Ley
Angew Chem Int Ed Engl
(2003)
42
Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study
CG Hanke, A Johansson, JB Harper, RM Lynden-Bell
Chemical Physics Letters
(2003)
374
Ab initio study of rearrangements between C60 fullerenes
Y Kumeda, DJ Wales
Chemical Physics Letters
(2003)
374
Potent New Heterogeneous Asymmetric Catalysts
J Rouzaud, MD Jones, R Raja, BFG Johnson, JM Thomas, MJ Duer
Helvetica Chimica Acta
(2003)
86
The Development of a Practical Total Synthesis of Discodermolide, a Promising Microtubule‐Stabilizing Anticancer Agent
I Paterson, GJ Florence
European Journal of Organic Chemistry
(2003)
2003
6Li MAS NMR and in situ X-ray studies of lithium nickel manganese oxides
W-S Yoon, N Kim, X-Q Yang, J McBreen, CP Grey
Journal of Power Sources
(2003)
119
Structural insights into the evolution of the pantothenate-biosynthesis pathway
CMC Lobley, F Schmitzberger, ML Kilkenny, H Whitney, HH Ottenhof, E Chakauya, ME Webb, LM Birch, KL Tuck, C Abell, AG Smith, TL Blundell
Biochem Soc Trans
(2003)
31
Two-dimensional Hadamard spectroscopy
E Kupce, R Freeman
J Magn Reson
(2003)
162
Lithium MAS NMR studies of cathode materials for lithium-ion batteries
CP Grey, YJ Lee
Solid State Sciences
(2003)
5
Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times
C Toubin, S Picaud, PNM Hoang, C Girardet, RM Lynden-Bell, JT Hynes
The Journal of Chemical Physics
(2003)
118
Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction
N Kern, D Frenkel
The Journal of Chemical Physics
(2003)
118
Experiences with the shikimate-pathway enzymes as targets for rational drug design
JR Coggins, C Abell, LB Evans, M Frederickson, DA Robinson, AW Roszak, AP Lapthorn
Biochem Soc Trans
(2003)
31
Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field
R Burcl, NC Handy, S Carter
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
(2003)
59
Adsorption energies and geometries of phenol on the (111) surface of nickel: An ab initio study
L Delle Site, A Alavi, CF Abrams
Physical Review B Condensed Matter and Materials Physics
(2003)
67