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- Currently displaying 15121 - 15140 of 30152 publications
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.
Journal of Cheminformatics
(2011)
3
38
(doi: 10.1186/1758-2946-3-38)
The semantics of Chemical Markup Language (CML): dictionaries and conventions.
Journal of cheminformatics
(2011)
3
43
(doi: 10.1186/1758-2946-3-43)
The semantic architecture of the World-Wide Molecular Matrix (WWMM)
Journal of cheminformatics
(2011)
3
42
(doi: 10.1186/1758-2946-3-42)
Mining chemical information from open patents
Journal of Cheminformatics
(2011)
3
40
(doi: 10.1186/1758-2946-3-40)
H-2 Molecules Encapsulated in Extended Be-n Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
The journal of physical chemistry. A
(2011)
115
12105
(doi: 10.1021/jp206869g)
Mode-specific chemisorption of CH4 on Pt{110}-(1 × 2) explored by first-principles molecular dynamics
The Journal of Physical Chemistry C
(2011)
115
21832
(doi: 10.1021/jp207746q)
Defects in doped LaGaO3 anionic conductors: Linking NMR spectral features, local environments, and defect thermodynamics
Journal of the American Chemical Society
(2011)
133
17662
(doi: 10.1021/ja2053557)
The fourth age of quantum chemistry: molecules in motion.
Phys. Chem. Chem. Phys.
(2011)
14
1085
(doi: 10.1039/c1cp21830a)
Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength
Physica Status Solidi B Basic Research
(2011)
248
2532
(doi: 10.1002/pssb.201100515)
Fast Resonance Assignment and Fold Determination of Human Superoxide Dismutase by High‐Resolution Proton‐Detected Solid‐State MAS NMR Spectroscopy
Angewandte Chemie (International ed. in English)
(2011)
50
11697
(doi: 10.1002/anie.201106340)
Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site
Structure (London, England : 1993)
(2011)
19
1691
(doi: 10.1016/j.str.2011.09.017)
Inversion of the Balance between Hydrophobic and Hydrogen Bonding Interactions in Protein Folding and Aggregation.
PLoS Comput. Biol.
(2011)
7
e1002169
(doi: 10.1371/journal.pcbi.1002169)
Stereoselective synthesis of sarmentine
Russian Journal of General Chemistry
(2011)
81
1915
(doi: 10.1134/s1070363211090337)
Irreversible High-Temperature Hydrogen Interaction with the Metal Organic Framework Cu3(BTC)2
The Journal of Physical Chemistry C
(2011)
115
21521
(doi: 10.1021/jp206821f)
"Cofactor"-controlled enantioselective catalysis.
J Am Chem Soc
(2011)
133
17176
(doi: 10.1021/ja208589c)
Aryl-aryl bond formation by the fluoride-free cross-coupling of aryldisiloxanes with aryl bromides
Chemistry – A European Journal
(2011)
17
13230
(doi: 10.1002/chem.201102285)
Extended surfaces modulate hydrophobic interactions of neighboring solutes
Proceedings of the National Academy of Sciences
(2011)
108
17678
(doi: 10.1073/pnas.1110703108)
pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes
Chem Commun (Camb)
(2011)
47
12765
(doi: 10.1039/c1cc14799d)
Single crystal nuclear magnetic resonance in spinning powders.
The Journal of chemical physics
(2011)
135
144201
(doi: 10.1063/1.3640418)
Syngas-mediated C-C bond formation in flow: Selective rhodium-catalysed hydroformylation of styrenes
Synlett
(2011)
2011
2648
(doi: 10.1055/s-0031-1289292)