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  • Currently displaying 15261 - 15280 of 30279 publications
Author(s)
Publication title
Journal Name
Publication year
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
FY Naumkin, DJ Wales
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
Physical Chemistry Chemical Physics
(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
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
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
Angew Chem Int Ed Engl
(2011)
50
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
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 Cu 3 (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 of USA
(2011)
108
pH-Driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes.
CM Álvarez, R Carrillo, R García-Rodríguez, D Miguel
Chemical communications (Cambridge, England)
(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
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
The solidliquid interface free-energy of Pb: Comparison of theory and experiments
S Angioletti-Uberti
Journal of Physics Condensed Matter
(2011)
23
Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms
F Calvo, JPK Doye, DJ Wales
Nanoscale
(2011)
4
Thermodynamic Properties of Water Molecules at a Protein Protein Interaction Surface
DJ Huggins, M Marsh, MC Payne
J Chem Theory Comput
(2011)
7