Femtochemistry of Norrish Type-I Reactions: III. Highly Excited Ketones-Theoretical

Time‐dependant density functional theory (TDDFT) and ab initio methods (CASSCF and CASMP2) are applied here for the investigation of the excited‐state potential energy surfaces of ketones studied experimentally in the accompanying paper, number IV in the series. The aim is to provide a general and d...

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Veröffentlicht in:	Chemphyschem 2002-01, Vol.3 (1), p.57-78
Hauptverfasser:	Diau, Eric W.-G., Kötting, Carsten, Sølling, Theis I., Zewail, Ahmed H.
Format:	Artikel
Sprache:	eng
Schlagworte:	ab initio calculations Chemistry conical intersections Exact sciences and technology femtochemistry General and physical chemistry Norrish reactions Photochemistry Physical chemistry of induced reactions (with radiations, particles and ultrasonics) transition states
Online-Zugang:	Volltext
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