Assessment of the Potential Energy Hypersurfaces in Thymine...

Molecules 2016 / 12 Vol. 21; Iss. 12

Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2

Segarra-Martí, Javier, Francés-Monerris, Antonio, Roca-Sanjuán, Daniel, Merchán, Manuela
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Volume:
21
Language:
english
Journal:
Molecules
DOI:
10.3390/molecules21121666
Date:
December, 2016
File:
PDF, 2.44 MB
english, 2016
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