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