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  • Currently displaying 15121 - 15140 of 30147 publications
Author(s)
Publication title
Journal Name
Publication year
The semantics of Chemical Markup Language (CML): dictionaries and conventions.
P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas
J Cheminform
(2011)
3
The semantic architecture of the World-Wide Molecular Matrix (WWMM).
P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang
J Cheminform
(2011)
3
Ami - The chemist's amanuensis
BJ Brooks, AL Thorn, M Smith, P Matthews, S Chen, B O'Steen, SE Adams, JA Townsend, P Murray-Rust
Journal of cheminformatics
(2011)
3
Semantic science and its communication - a personal view.
P Murray-Rust
Journal of cheminformatics
(2011)
3
H2 molecules encapsulated in extended Ben cluster cages: Toward light-metal nanofoams for hydrogen storage
FY Naumkin, DJ Wales
The journal of physical chemistry. A
(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
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
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
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)
(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
(2011)
19
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
Journal of the American Chemical Society
(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
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