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"Assessment of various density functionals and solvation models to describe ..."

Maxim A. Lutoshkin, Alexandr S. Kazachenko (2017)

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DOI: 10.3233/JCM-170745

access: closed

type: Journal Article

metadata version: 2020-04-02

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  - journals/jcmse/LutoshkinK17
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  - https://dblp.org/rec/journals/jcmse/LutoshkinK17
Maxim A. Lutoshkin, Alexandr S. Kazachenko:
Assessment of various density functionals and solvation models to describe acid-base, spectral and complexing properties of thiobarbituric and barbituric acids in aqueous solution. J. Comput. Methods Sci. Eng. 17(4): 851-863 (2017)

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