A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP

A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP

Year:    2016

Communications in Computational Chemistry, Vol. 4 (2016), Iss. 1 : pp. 9–23

Abstract

You do not have full access to this article.

Already a Subscriber? Sign in as an individual or via your institution

Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicc.2016.v4.n1.2

Communications in Computational Chemistry, Vol. 4 (2016), Iss. 1 : pp. 9–23

Published online:    2016-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    15

Keywords:    Hydrogen bond ESIPT Frontier molecular orbitals Electronic spectra Potential energy curves.

  1. Why the lowest electronic excitations of rhodamines are overestimated by time‐dependent density functional theory

    Zhou, Panwang

    International Journal of Quantum Chemistry, Vol. 118 (2018), Iss. 23

    https://doi.org/10.1002/qua.25780 [Citations: 36]