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  • Currently displaying 19881 - 19900 of 29849 publications
Author(s)
Publication title
Journal Name
Publication year
Pore nucleation in mechanically stretched bilayer membranes
Z-J Wang, D Frenkel
The Journal of Chemical Physics
(2005)
123
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
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 - A European Journal
(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
[HydrogenN-(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: Crystallographic Communications
(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)
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
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
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
J Phys Chem 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 - art. no. 134111
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
Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite
CD Martin, S Chaudhuri, CP Grey, JB Parise
American Mineralogist
(2005)
90
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