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  • Currently displaying 19941 - 19960 of 29903 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 & 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
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
On the Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes: A Computational Study of Y···HCl Dimers (Y = N2, CO, BF)
SAC McDowell, AD Buckingham
Journal of the American Chemical Society
(2005)
127
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
J Phys Chem B
(2005)
109
Analytic energy gradients of the optimized effective potential method
Q Wu, AJ Cohen, W Yang
The Journal of chemical physics
(2005)
123
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
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
J Chem Phys
(2005)
123
Structure–activity relationships of Erwinia carotovora quorum sensing signaling molecules
M Welch, JM Dutton, FG Glansdorp, GL Thomas, DS Smith, SJ Coulthurst, AML Barnard, GPC Salmond, DR Spring
Bioorganic & medicinal chemistry letters
(2005)
15
Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins
MSP Sansom, PJ Bond, SS Deol, A Grottesi, S Haider, ZA Sands
Biochem Soc Trans
(2005)
33
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