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  • Currently displaying 21081 - 21100 of 30949 publications
Author(s)
Publication title
Journal Name
Publication year
New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2.
Z Lin, A Orlov, RM Lambert, MC Payne
The Journal of Physical Chemistry B
(2005)
109
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
A Michaelides, K Reuter, M Scheffler
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
(2005)
23
Pore nucleation in mechanically stretched bilayer membranes
Z-J Wang, D Frenkel
J Chem Phys
(2005)
123
Simulation of colloidal crystallization on finite structured templates
A Cacciuto, D Frenkel
Phys Rev E Stat Nonlin Soft Matter Phys
(2005)
72
Solution structure of a protein denatured state and folding intermediate.
TL Religa, JS Markson, U Mayor, SMV Freund, AR Fersht
Nature
(2005)
437
Total synthesis of halipeptins: Isolation of halipeptin D and synthesis of oxazoline halipeptin analogues
KC Nicolaou, D Schlawe, DW Kim, DA Longbottom, RG de Noronha, DE Lizos, RR Manam, DJ Faulkner
Chemistry
(2005)
11
Variations in antigen-antibody association kinetics as a function of pH and salt concentration: A QSAR and molecular modeling study
A Dejaegere, L Choulier, V Lafont, E De Genst, D Altschuh
Biochemistry
(2005)
44
[Hydrogen N-(phosphonomethyl)iminodiacetato](1,10-phenanthroline)copper(II) trihydrate: a low-temperature redetermination
FAA Paz, F-N Shi, T Trindade, J Klinowski, J Rocha
Acta Crystallographica Section E Structure Reports Online
(2005)
61
Evolution or Revolution: The Challenge to the Modern Medicinal Chemist
IR Baxendale, SV Ley
(2005)
Oxynitrides as electrode materials for lithium-ion batteries - Characterization and performance of Li7.9MnN3.2O1.6
J Cabana, N Dupré, CP Grey, G Subías, MT Caldés, A-M Marie, MR Palacín
Journal of the Electrochemical Society
(2005)
152
Comparison and visualisation of high-resolution transport modelling with aircraft measurements
FM O'Connor, GD Carver, NH Savage, JA Pyle, J Methven, SR Arnold, K Dewey, J Kent
Atmospheric Science Letters
(2005)
6
Investigating sorption on iron-oxyhydroxide soil minerals by solid-state NMR spectroscopy: A Li-6 MAS NMR study of adsorption and absorption on goethite
UG Nielsen, Y Paik, K Julmis, MAA Schoonen, RJ Reeder, CP Grey
The journal of physical chemistry. B
(2005)
109
Synthesis and Characterization of Stereoregular Ethylene-Vinyl Alcohol Copolymers Made by Ring-Opening Metathesis Polymerization
OA Scherman, R Walker, RH Grubbs
Macromolecules
(2005)
38
Polymer Crystallization Driven by Anisotropic Interactions
W Hu, D Frenkel
Advances in Polymer Science
(2005)
191
Analytic energy gradients of the optimized effective potential method
Q Wu, AJ Cohen, W Yang
The Journal of Chemical Physics
(2005)
123
Selective functionalization of arenes through the reaction of aryne-zirconocene complexes and enol ethers
J Barluenga, A Fernández, L Álvarez-Rodrigo, F Rodríguez, FJ Fañanás
Synlett
(2005)
Total synthesis of two novel subpicomolar sarco/endoplasmatic reticulum Ca2+-ATPase inhibitors designed by an analysis of the binding site of thapsigargin.
H Søhoel, T Liljefors, SV Ley, SF Oliver, A Antonello, MD Smith, CE Olsen, JT Isaacs, SB Christensen
J Med Chem
(2005)
48
Diagnosing broken ergodicity using an energy fluctuation metric - art. no. 134504
VK de Souza, DJ Wales
The Journal of chemical physics
(2005)
123
Synthesis of alkaloid natural products using solid-supported reagents and scavengers
I Baxendale, S Ley
Current Organic Chemistry
(2005)
9
Membrane protein structure quality in molecular dynamics simulation
RJ Law, C Capener, M Baaden, PJ Bond, J Campbell, G Patargias, Y Arinaminpathy, MSP Sansom
J Mol Graph Model
(2005)
24