Resultats globals: 3 registres trobats en 0.02 segons.
Articles, 3 registres trobats
Articles 3 registres trobats  
1.
18 p, 1.2 MB Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds / Gil Sepulcre, Marcos (Universitat Autònoma de Barcelona. Departament de Química) ; Axelson, Jordan C. (University of California. Department of Chemistry) ; Aguiló Carreras, Joan (Universitat Autònoma de Barcelona. Departament de Química) ; Solà-Hernández, Lluís (Universitat Autònoma de Barcelona. Departament de Química) ; Francàs Forcada, Laia (Institut Català d'Investigació Química) ; Poater, Albert (Universitat de Girona. Departament de Química) ; Blancafort, Lluís (Institut de Química Computacional i Catàlisi) ; Benet-Buchholz, Jordi (Institut Català d'Investigació Química) ; Guirado López, Gonzalo (Universitat Autònoma de Barcelona. Departament de Química) ; Escriche Martínez, Lluís (Universitat Autònoma de Barcelona. Departament de Química) ; Llobet Dalmases, Antoni (Universitat Autònoma de Barcelona. Departament de Química) ; Bofill Arasa, Roger (Universitat Autònoma de Barcelona. Departament de Química) ; Sala Román, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
A RuII-pentadentate polypyridyl complex [RuII(κ-N5-bpy2PYMe)Cl]+ (1+, bpy2PYMe = 1-(2-pyridyl)-1,1-bis(6-2,2'-bipyridyl)ethane) and its aqua derivative [RuII(κ-N5-bpy2PYMe)(H2O)]2+ (22+) were synthesized and characterized by experimental and computational methods. [...]
2016 - 10.1021/acs.inorgchem.6b01755
Inorganic chemistry, Vol. 55, Issue 21 (November 2016) , p. 11216-11229  
2.
12 p, 3.5 MB What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions? / Migani, Annapaola (Institut Català de Nanociència i Nanotecnologia) ; Blancafort, Lluís (Institut de Química Computacional i Catàlisi)
The photocatalytic O-H dissociation of water absorbed on a rutile TiO(110) surface in ultrahigh vacuum (UHV) is studied with spin-polarized density functional theory and a hybrid exchange-correlation functional (HSE06), treating the excited-state species as excitons with triplet multiplicity. [...]
2017 - 10.1021/jacs.7b05121
Journal of the American Chemical Society, Vol. 139, Issue 34 (August 2017) , p. 11845-11856  
3.
9 p, 3.2 MB Early events in the photochemistry of 5-diazo Meldrum's acid : Formation of a product manifold in C-N bound and pre-dissociated intersection seam regions / Li, Huijing (Beijing Institute of Technology. School of Chemistry and Chemical Engineering) ; Migani, Annapaola (Institut Català de Nanociència i Nanotecnologia) ; Blancafort, Lluís (Institut de Química Computacional i Catàlisi) ; Li, Quansong (Beijing Institute of Technology. School of Chemistry and Chemical Engineering) ; Li, Zesheng (Beijing Institute of Technology. School of Chemistry and Chemical Engineering)
5-Diazo Meldrum's acid (DMA) undergoes a photo-induced Wolff rearrangement (WR). Recent gas-phase experiments have identified three photochemical products formed in a sub-ps scale after irradiation, a carbene formed after nitrogen loss, a ketene formed after WR and a second carbene formed after nitrogen and CO elimination (A. [...]
2016 - 10.1039/c6cp06290c
Physical chemistry chemical physics, Vol. 18, Issue 44 (November 2016) , p. 30785-30793  

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