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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

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.

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