Supplementary Material (no marked-up)

AIP Publishing 2026 Open access

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Authors: Takeaki Zaima, Wataru Ota, Tatsuhisa Kato, Tohru Sato
DOI: 10.60893/figshare.jcp.31387522
Cited by: 0

Abstract

The supplementary material contains the additional computational results: benchmark calculations, character table for C2v group, electron density difference, mixed-spin states, dependence of rate constant on energy gap and linewidth, Franck-Condon envelope, first-order dependence of SO coupling on nuclear coordinates, and dependence of ISC rate constant on energy gap and SO coupling.

Fields of Study & Subjects

Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Photochemistry and Electron Transfer Studies

Publication details

Journal / source
AIP Publishing
Publication date
9 March 2026
Language
EN