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Comment on 'Density functional theory study of 1,2-dioxetanone decomposition in condensed phase'.

Authors :
Roca-Sanjuán, Daniel
Lundberg, Marcus
Mazziotti, David A.
Lindh, Roland
Source :
Journal of Computational Chemistry; Oct2012, Vol. 33 Issue 26, p2124-2126, 3p, 2 Graphs
Publication Year :
2012

Abstract

In the preceding paper results are presented, which are in serious conflict with state-of-the-art ab initio method. Based on these new results the authors propose a new explanation of the reason for the preferential production of a phosphorescent state. Here we show that these controversial results are flawed, since the model use exclude biradical electron structures. © 2012 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
01928651
Volume :
33
Issue :
26
Database :
Complementary Index
Journal :
Journal of Computational Chemistry
Publication Type :
Academic Journal
Accession number :
79779320
Full Text :
https://doi.org/10.1002/jcc.23040