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  • Currently displaying 15121 - 15140 of 30147 publications
Author(s)
Publication title
Journal Name
Publication year
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
J Am Chem Soc
(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
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
(2011)
19
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 Edition
(2011)
50
Stereoselective synthesis of sarmentine
RN Shakhmaev, AU Ishbaeva, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2011)
81
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 Computational Biology
(2011)
7
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
J Chem Phys
(2011)
135
The continuous-flow synthesis of styrenes using ethylene in a palladium-catalysed heck cross-coupling reaction
S Ley, S Bourne, P Koos, M O’Brien, B Martin, B Schenkel, I Baxendale
Synlett
(2011)
2011
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
The solidliquid interface free-energy of Pb: Comparison of theory and experiments
S Angioletti-Uberti
J Phys Condens Matter
(2011)
23
Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.
F Calvo, JPK Doye, DJ Wales
Nanoscale
(2011)
4
Some comments on topological approaches to the π-electron currents in conjugated systems
TK Dickens, JANF Gomes, RB Mallion
J Chem Theory Comput
(2011)
7