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- Currently displaying 15601 - 15620 of 30639 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)
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
The journal of physical chemistry. A
(2011)
115
12105
(doi: 10.1021/jp206869g)
Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics
J Am Chem Soc
(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)
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)
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)
Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength
physica status solidi (b)
(2011)
248
2532
(doi: 10.1002/pssb.201100515)
Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site
Structure
(2011)
19
1691
(doi: 10.1016/j.str.2011.09.017)
Stereoselective Synthesis of Sarmentine
Russian Journal of General Chemistry
(2011)
81
1915
(doi: 10.1134/S1070363211090337)
Inversion of the balance between hydrophobic and hydrogen bonding interactions in protein folding and aggregation.
Plos Computational Biology
(2011)
7
e1002169
(doi: 10.1371/journal.pcbi.1002169)
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)
Single crystal nuclear magnetic resonance in spinning powders.
The Journal of chemical physics
(2011)
135
144201
(doi: 10.1063/1.3640418)
PH-driven dynamic stereoinduction: Epimerization upon dimerization in rhenium(i) complexes
Chemical Communications
(2011)
47
12765
(doi: 10.1039/c1cc14799d)
The continuous-flow synthesis of styrenes using ethylene in a palladium-catalysed heck cross-coupling reaction
Synlett
(2011)
2011
2643
(doi: 10.1055/s-0031-1289291)
Syngas-Mediated C-C Bond Formation in Flow: Selective Rhodium-Catalysed Hydroformylation of Styrenes
Synlett
(2011)
2011
2648
(doi: 10.1055/s-0031-1289292)
The solid-liquid interface free-energy of Pb: comparison of theory and experiments.
J Phys Condens Matter
(2011)
23
435008
Energy landscapes of colloidal clusters: Thermodynamics and rearrangement mechanisms
Nanoscale
(2011)
4
1085
(doi: 10.1039/c1nr10679a)