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Response to "comment on density functional theory study of 1,2-dioxetanone decomposition in condensed phase"

Title
Response to "comment on density functional theory study of 1,2-dioxetanone decomposition in condensed phase"
Type
Another Publication in an International Scientific Journal
Year
2012
Authors
da silva, lp
(Author)
Other
The person does not belong to the institution. The person does not belong to the institution. The person does not belong to the institution. Without AUTHENTICUS Without ORCID
da silva, jcge
(Author)
FCUP
View Personal Page You do not have permissions to view the institutional email. Search for Participant Publications View Authenticus page Without ORCID
Journal
Vol. 33
Pages: 2127-2130
ISSN: 0192-8651
Publisher: Wiley-Blackwell
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-002-4GY
Abstract (EN): Roca-Sanjuan et al. commented on our paper Density Functional Theory Study of 1,2-Dioxetanone Decomposition in Condensed Phase, by criticizing the use of a closed-shell approach and the differences encountered regarding other previous studies. However, our suggested reaction mechanism was in line with experimental findings, contrary to other computational studies. Moreover, we have presented data to support our use of a closed-shell approach. (c) 2012 Wiley Periodicals, Inc.
Language: English
Type (Professor's evaluation): Scientific
Contact: jcsilva@fc.up.pt
No. of pages: 4
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