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  • Currently displaying 15121 - 15140 of 30152 publications
Author(s)
Publication title
Journal Name
Publication year
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.
S Adams, P de Castro, P Echenique, J Estrada, MD Hanwell, P Murray-Rust, P Sherwood, J Thomas, J Townsend
Journal of Cheminformatics
(2011)
3
The semantics of Chemical Markup Language (CML): dictionaries and conventions.
P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas
Journal of cheminformatics
(2011)
3
The semantic architecture of the World-Wide Molecular Matrix (WWMM)
P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang
Journal of cheminformatics
(2011)
3
Mining chemical information from open patents
DM Jessop, SE Adams, P Murray-Rust
Journal of Cheminformatics
(2011)
3
H-2 Molecules Encapsulated in Extended Be-n Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
FY Naumkin, DJ Wales
The journal of physical chemistry. A
(2011)
115
Mode-specific chemisorption of CH4 on Pt{110}-(1 × 2) explored by first-principles molecular dynamics
M Sacchi, DJ Wales, SJ Jenkins
The Journal of Physical Chemistry C
(2011)
115
Defects in doped LaGaO3 anionic conductors: Linking NMR spectral features, local environments, and defect thermodynamics
F Blanc, DS Middlemiss, Z Gan, CP Grey
Journal of the American Chemical Society
(2011)
133
The fourth age of quantum chemistry: molecules in motion.
AG Császár, C Fábri, T Szidarovszky, E Mátyus, T Furtenbacher, G Czakó
Phys. Chem. Chem. Phys.
(2011)
14
Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength
P Bluemmel, A Setaro, CS Popeney, B Trappmann, R Haag, S Reich
Physica Status Solidi B Basic Research
(2011)
248
Fast Resonance Assignment and Fold Determination of Human Superoxide Dismutase by High‐Resolution Proton‐Detected Solid‐State MAS NMR Spectroscopy
MJ Knight, AL Webber, AJ Pell, P Guerry, E Barbet-Massin, I Bertini, IC Felli, L Gonnelli, R Pierattelli, L Emsley, A Lesage, T Herrmann, G Pintacuda
Angewandte Chemie (International ed. in English)
(2011)
50
Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site
VM Bolanos-Garcia, T Lischetti, D Matak-Vinković, E Cota, PJ Simpson, DY Chirgadze, DR Spring, CV Robinson, J Nilsson, TL Blundell
Structure (London, England : 1993)
(2011)
19
Inversion of the Balance between Hydrophobic and Hydrogen Bonding Interactions in Protein Folding and Aggregation.
AW Fitzpatrick, TPJ Knowles, CA Waudby, M Vendruscolo, CM Dobson
PLoS Comput. Biol.
(2011)
7
Stereoselective synthesis of sarmentine
RN Shakhmaev, AU Ishbaeva, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2011)
81
Irreversible High-Temperature Hydrogen Interaction with the Metal Organic Framework Cu3(BTC)2
A Grzech, J Yang, TJ Dingemans, S Srinivasan, PCMM Magusin, FM Mulder
The Journal of Physical Chemistry C
(2011)
115
"Cofactor"-controlled enantioselective catalysis.
P Dydio, C Rubay, T Gadzikwa, M Lutz, JNH Reek
J Am Chem Soc
(2011)
133
Aryl-aryl bond formation by the fluoride-free cross-coupling of aryldisiloxanes with aryl bromides
CM Boehner, EC Frye, KMG O'Connell, WRJD Galloway, HF Sore, PG Dominguez, D Norton, DG Hulcoop, M Owen, G Turner, C Crawford, H Horsley, DR Spring
Chemistry – A European Journal
(2011)
17
Extended surfaces modulate hydrophobic interactions of neighboring solutes
AJ Patel, P Varilly, SN Jamadagni, H Acharya, S Garde, D Chandler
Proceedings of the National Academy of Sciences
(2011)
108
pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes
CM Álvarez, R Carrillo, R García-Rodríguez, D Miguel
Chem Commun (Camb)
(2011)
47
Single crystal nuclear magnetic resonance in spinning powders.
AJ Pell, G Pintacuda, L Emsley
The Journal of chemical physics
(2011)
135
Syngas-mediated C-C bond formation in flow: Selective rhodium-catalysed hydroformylation of styrenes
S Ley, S Kasinathan, S Bourne, P Tolstoy, P Koos, M O’Brien, R Bates, I Baxendale
Synlett
(2011)
2011