Structures and energies of low-lying doublet excited states of N3 from accurate configuration interaction calculations

Molecular Physics

Volumn 107, Issue 8-12, 2009, Pages 1017-1025

  Kerkines, Ioannis S K ^a   Wang, Zhi ^a   Zhang, Peng ^a,b   Morokuma, Keiji ^a  

^a EMORY UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

Author keywords

Azide radical; Configuration interaction; Conical intersection; Cyclic N3; Low lying doublet excited states

Indexed keywords

AZIDE RADICAL; CONFIGURATION INTERACTION; CONICAL INTERSECTION; CYCLIC-N3; LOW-LYING DOUBLET EXCITED STATES;

INTERSECTIONS;

EXCITED STATES;

EID: 68249146202     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802712530     Document Type: Article

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