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  • Currently displaying 19941 - 19960 of 29898 publications
Author(s)
Publication title
Journal Name
Publication year
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
[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 Structure Reports Online
(2005)
61
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
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
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 6Li MAS NMR study of adsorption and absorption on goethite.
UG Nielsen, Y Paik, K Julmis, MAA Schoonen, RJ Reeder, CP Grey
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 - 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
VK de Souza, DJ Wales
J. Chem. Phys.
(2005)
123
Membrane protein structure quality in molecular dynamics simulation.
RJ Law, C Capener, M Baaden, PJ Bond, J Campbell, G Patargias, Y Arinaminpathy, MSP Sansom
Journal of molecular graphics & modelling
(2005)
24
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 and Medicinal Chemistry Letters
(2005)
15
Synthesis of Alkaloid Natural Products Using Solid-Supported Reagents and Scavengers
I Baxendale, S Ley
Current Organic Chemistry
(2005)
9
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
Simulation studies of the interactions between membrane proteins and detergents
PJ Bond, J Cuthbertson, MSP Sansom
Biochemical Society transactions
(2005)
33
Direct Quantification of Analyte Concentration by Resonant Acoustic Profiling
B Godber, KSJ Thompson, M Rehak, Y Uludag, S Kelling, A Sleptsov, M Frogley, K Wiehler, C Whalen, MA Cooper
Clinical chemistry
(2005)
51