Theoretical Confirmation of the Excited State Intramolecular Proton Transfer and Twisting Process of 1-Hydroxy-2-Acetonaphthone in Solution: A TDDFT Study

Theoretical Confirmation of the Excited State Intramolecular Proton Transfer and Twisting Process of 1-Hydroxy-2-Acetonaphthone in Solution: A TDDFT Study

Year:    2015

Author:    Dapeng Yang, Rui Zheng, Yusheng Wang, Jian Lv

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 1–10

Abstract

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicc.2015.v3.n1.1

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 1–10

Published online:    2015-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    10

Keywords:    Intramolecular hydrogen bond ESIPT TDDFT calculations twisting process.

Author Details

Dapeng Yang

Rui Zheng

Yusheng Wang

Jian Lv