Photochemical Deactivation Process of HCFC-133a (C2H2F3Cl): A Nonadiabatic Dynamics Study

The photochemical deactivation process of HCFC-133a (C2H2F3Cl) was investigated by computing excited-state properties with a number of single-reference methods, including coupled cluster to approximated second order (CC2), algebraic diagrammatic construction to second order (ADC(2)), and time-depend...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (51), p.12041-12049
Hauptverfasser:	Pereira Rodrigues, Gessenildo, Ventura, Elizete, do Monte, Silmar Andrade, Barbatti, Mario
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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