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  • Currently displaying 20801 - 20820 of 30663 publications
Author(s)
Publication title
Journal Name
Publication year
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
A Michaelides, K Reuter, M Scheffler
Journal of Vacuum Science and Technology A Vacuum Surfaces and Films
(2005)
23
Simulation of colloidal crystallization on finite structured templates
A Cacciuto, D Frenkel
Physical review. E, Statistical, nonlinear, and soft matter physics
(2005)
72
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 - A European Journal
(2005)
11
Solution structure of a protein denatured state and folding intermediate
TL Religa, JS Markson, U Mayor, SMV Freund, AR Fersht
Nature
(2005)
437
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 6Li 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
Analytic energy gradients of the optimized effective potential method
Q Wu, AJ Cohen, W Yang
The Journal of Chemical Physics
(2005)
123
Polymer Crystallization Driven by Anisotropic Interactions
W Hu, D Frenkel
Advances in Polymer Science
(2005)
191
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
Journal of medicinal chemistry
(2005)
48
Diagnosing broken ergodicity using an energy fluctuation metric (9 pages)
VK de Souza, DJ Wales
J Chem Phys
(2005)
123
Simulation studies of the interactions between membrane proteins and detergents.
PJ Bond, J Cuthbertson, MSP Sansom
Biochemical Society transactions
(2005)
33
Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins
MSP Sansom, PJ Bond, SS Deol, A Grottesi, S Haider, ZA Sands
Biochemical Society Transactions
(2005)
33
Preferred orientation in filtercakes of kaolinite
AC Perdigon-Aller, M Aston, SM Clarke
Journal of colloid and interface science
(2005)
290
The first one-dimensional lanthanopolyoxotungstoborate
FL Sousa, FAA Paz, CMCE Granadeiro, AMV Cavaleiro, J Rocha, J Klinowski, HIS Nogueira
Inorganic Chemistry Communications
(2005)
8