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Theoretical study of the first step of SPLET mechanism: O–H bond cleavage in the mono-substituted benzoic acids Cover

Theoretical study of the first step of SPLET mechanism: O–H bond cleavage in the mono-substituted benzoic acids

Acta Chimica Slovaca
Volume 8 (2015): Issue 2 (October 2015)
By: ,   and    
Open Access
|Dec 2015
References

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DOI: https://doi.org/10.1515/acs-2015-0021 | Journal eISSN: 1339-3065 (formerly 1337-978X) | Journal ISSN: 1337-978X
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Language: English
Page range: 120 - 125
Published on: Dec 5, 2015
Published by: Slovak University of Technology in Bratislava
In partnership with: Paradigm Publishing Services
Publication frequency: 1 issue per year
Keywords:
Proton affinity,
B3LYP,
M062X,
IEF-PCM,
SMD,
benzoic acid derivatives
Related subjects:
Chemistry,
Chemistry, other

© 2015 Martin Michalík, Peter Škorňa, Vladimír Lukeš, published by Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Volume 8 (2015): Issue 2 (October 2015)
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