Open AccessTheoretical investigation of intersystem crossing in the cyanonitrene molecule, 1NCN → 3NCN
Author(s) -
Mark Pfeifle,
Yuri Georgievskii,
Ahren W. Jasper,
Stephen J. Klippenstein
Publication year - 2017
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4999788
Subject(s) - intersystem crossing , chemistry , photodissociation , singlet state , dissociation (chemistry) , molecule , photochemistry , triplet state , ground state , diradical , computational chemistry , atomic physics , excited state , physics , organic chemistry