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  • Currently displaying 16121 - 16140 of 31159 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
Stereoselective Synthesis of Sarmentine
RN Shakhmaev, AU Ishbaeva, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2011)
81
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 x 2) Explored by First-Principles Molecular Dynamics
M Sacchi, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2011)
115
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
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
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
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
(2011)
17
"Cofactor"-controlled enantioselective catalysis.
P Dydio, C Rubay, T Gadzikwa, M Lutz, JNH Reek
Journal of the American Chemical Society
(2011)
133
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
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
The solid-liquid interface free-energy of Pb: comparison of theory and experiments.
S Angioletti-Uberti
Journal of Physics: Condensed Matter
(2011)
23
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
Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.
F Calvo, JPK Doye, DJ Wales
Nanoscale
(2011)
4
The Effect of Linker Histone's Nucleosome Binding Affinity on Chromatin Unfolding Mechanisms
R Collepardo-Guevara, T Schlick
Biophysical Journal
(2011)
101
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
Thermodynamic Properties of Water Molecules at a Protein Protein Interaction Surface
DJ Huggins, M Marsh, MC Payne
Journal of Chemical Theory and Computation
(2011)
7