Volume 4, Issue 1
A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP

Shouyang Sun, Peng Song & Fengcai Ma

Commun. Comput. Chem., 4 (2016), pp. 9-23.

Published online: 2016-04

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65D18, 78M50, 74E40

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COPYRIGHT: © Global Science Press

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@Article{CiCC-4-9, author = {}, title = {A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP }, journal = {Communications in Computational Chemistry}, year = {2016}, volume = {4}, number = {1}, pages = {9--23}, abstract = {}, issn = {2617-8575}, doi = {https://doi.org/10.4208/cicc.2016.v4.n1.2}, url = {http://global-sci.org/intro/article_detail/cicc/338.html} }
TY - JOUR T1 - A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP JO - Communications in Computational Chemistry VL - 1 SP - 9 EP - 23 PY - 2016 DA - 2016/04 SN - 4 DO - http://doi.org/10.4208/cicc.2016.v4.n1.2 UR - https://global-sci.org/intro/article_detail/cicc/338.html KW - Hydrogen bond, ESIPT, Frontier molecular orbitals, Electronic spectra, Potential energy curves. AB -
Shouyang Sun, Peng Song & Fengcai Ma. (1970). A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP . Communications in Computational Chemistry. 4 (1). 9-23. doi:10.4208/cicc.2016.v4.n1.2
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