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  • Currently displaying 19361 - 19380 of 30726 publications
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Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data
S Kuhn, T Helmus, RJ Lancashire, P Murray-Rust, HS Rzepa, C Steinbeck, EL Willighagen
J Chem Inf Model
(2007)
47
Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling.
C Valeriani, RJ Allen, MJ Morelli, D Frenkel, P Rein ten Wolde
The Journal of Chemical Physics
(2007)
127
A highly efficient dioxo(mu-oxo)molybdenum(VI) dimer catalyst for olefin epoxidation.
CCL Pereira, SS Balula, FAA Paz, AA Valente, M Pillinger, J Klinowski, IS Gonçalves
Inorganic Chemistry
(2007)
46
Retrieval of stratospheric and tropospheric BrO profiles and columns using ground-based zenith-sky DOAS observations at Harestua, 60° N
F Hendrick, M Van Roozendael, MP Chipperfield, M Dorf, F Goutail, X Yang, C Fayt, C Hermans, K Pfeilsticker, J-P Pommereau, JA Pyle, N Theys, M De Mazière
Atmospheric Chemistry and Physics
(2007)
7
Chapter 9 An Active Database Approach to Complete Rotational-Vibrational Spectra of Small Molecules
AG Császár, G Czakó, T Furtenbacher, E Mátyus
Annual Reports in Computational Chemistry
(2007)
3
Distinguishing specific and nonspecific interdomain interactions in multidomain proteins.
LG Randles, S Batey, A Steward, J Clarke
Biophys J
(2007)
94
Harvesting graphics power for MD simulations
JA van Meel, A Arnold, D Frenkel, SFP Zwart, RG Belleman
(2007)
Glassiness of thermotropic liquid crystals across the isotropic-nematic transition.
D Chakrabarti, B Bagchi
J Phys Chem B
(2007)
111
Contribution of rotational diffusion to pulsed field gradient diffusion measurements
AJ Baldwin, J Christodoulou, PD Barker, CM Dobson, G Lippens
Journal of Chemical Physics
(2007)
127
Calculating mean first passage times from Markov models of proteins
CH Jensen, D Nerukh, RC Glen, APJM Siebes, MR Berthold, RC Glen, AJ Feelders
CompLife 2007: 3rd International Symposium on Computational Life Science
(2007)
940
Layered Li x Ni y Mn y Co1-2 y O2 Cathodes for Lithium Ion Batteries: Understanding Local Structure via Magnetic Properties
NA Chernova, M Ma, J Xiao, MS Whittingham, J Breger, CP Grey
Chemistry of Materials
(2007)
19
Cluster Assisted Mixed effect Models (CAMM) for the identification of differentially expressed genes
PS McCormick, P Murray, RC Glen, APJM Siebes, MR Berthold, RC Glen, AJ Feelders
Aip Conference Proceedings
(2007)
940
Systematic Enumeration of Microporous Solids: Towards Designer Catalysts
JM Thomas, J Klinowski
Angewandte Chemie (International ed. in English)
(2007)
46
Uncharacteristic thione behavior in a Huisgen cycloaddition reaction: a kinetic and theoretical study
RN Butler, AG Coyne, P McArdle, LM Sibley, LA Burke
Tetrahedron Letters
(2007)
48
Preferential adsorption of solid monolayers of hydrocarbons over fluorocarbons at the solid/liquid interface
JE Parker, SM Clarke, AC Perdigón
Surface Science
(2007)
601
Structural reorganisation and potential toxicity of oligomeric species formed during the assembly of amyloid fibrils
M Cheon, I Chang, S Mohanty, LM Luheshi, CM Dobson, M Vendruscolo, G Favrin
PLoS Comput Biol
(2007)
3
Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction (vol B62, pg 953, 2006)
WIF David, RM Ibberson, SFJ Cox, PT Wood
Acta Crystallographica Section B Structural Science
(2007)
63
Macrocyclic and helical oligoamides as a new class of G-quadruplex ligands
PS Shirude, ER Gillies, S Ladame, F Godde, K Shin-Ya, I Huc, S Balasubramanian
Journal of the American Chemical Society
(2007)
129
Interactions of 4-chlorophenol with TiO2 polycrystalline surfaces: A study of environmental interfaces by NEXAFS, XPS, and UPS
A Orlov, DJ Watson, FJ Williams, WM Tikhov, RM Lambert
Langmuir
(2007)
23
New stabilising groups for lateral lithiation of ortho-cresol derivatives
JA Wilkinson, E-A Raiber, S Ducki
Tetrahedron Letters
(2007)
48