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Quantitatively Adequate Calculations of the H-Chelate Ring Distortion upon the S 0 →S 1 (ππ*) Excitation in Internally H-Bonded ortho-Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT.
Kolek, Przemysław, Andrzejak, Marcin, Hakalla, Rafał, Szajna, WojciechLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.8b04973
Date:
July, 2018
File:
PDF, 703 KB
english, 2018