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

Authors

  • Shouyang Sun, Peng Song & Fengcai Ma

DOI:

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

Keywords:

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

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Published

2016-04-01

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Issue

Vol. 4 No. 1 (2016)

Section

Articles

How to Cite

A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP . (2016). Communications in Computational Chemistry, 4(1), 9-23. https://doi.org/10.4208/cicc.2016.v4.n1.2