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  • Currently displaying 22081 - 22100 of 30389 publications
Author(s)
Publication title
Journal Name
Publication year
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on W{100}
A Michaelides, P Hu, M-H Lee, A Alavi, DA King
Physical Review Letters
(2003)
90
Analysis of the distributed computing approach applied to the folding of a small beta peptide.
E Paci, A Cavalli, M Vendruscolo, A Caflisch
Proceedings of the National Academy of Sciences
(2003)
100
Electrostatic interactions of charges and dipoles near a polarizable membrane
R ALLEN, J-P HANSEN
Molecular Physics
(2003)
101
(R)-(+)-2,2′-Di­amino-1,1′-bi­naphthyl
MD Jones, FAA Paz, JE Davies, BFG Johnson
Acta Crystallographica Section E Structure Reports Online
(2003)
59
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
Dynamic pruned-enriched Rosenbluth method
N COMBE, TJH VLUGT, PRT WOLDE, D FRENKEL
Molecular Physics
(2003)
101
Charged-stabilized colloidal suspensions: counterion condensation and phase diagrams
J-F DUFRÊCHE, TO WHITE, J-P HANSEN
Molecular Physics
(2003)
101
A simulation study of vibrational relaxation of I-3 in liquids
FS ZHANG, RM LYNDEN-BELL
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
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
Potent New Heterogeneous Asymmetric Catalysts
J Rouzaud, MD Jones, R Raja, BFG Johnson, JM Thomas, MJ Duer
Helvetica Chimica Acta
(2003)
86
Two-dimensional Hadamard spectroscopy.
E Kupce, R Freeman
J Magn Reson
(2003)
162
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
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
Lithium MAS NMR studies of cathode materials for lithium-ion batteries
CP Grey, YJ Lee
Solid State Sciences
(2003)
5
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
Biochemical Society transactions
(2003)
31