Results overview: Found 2 records in 0.02 seconds.
Articles, 2 records found
Articles 2 records found  
1.
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  
2.
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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