Electronic Structure and Excited States of the Collision Reaction O(3P) + C2H4: A Multiconfigurational Perspective

We present a study of the O­(3P) + C2H4 scattering reaction, a process that takes place in the interstellar medium and is of relevance in atmospheric chemistry as well. A comprehensive investigation of the electronic properties of the system has been carried out based on multiconfigurational ab init...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (28), p.6075-6088
Hauptverfasser:	Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters Chemical Sciences or physical chemistry Theoretical and
Online-Zugang:	Volltext
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