A DFT/TDDFT Investigation on the ESIPT Mechanism of a Novel Sensor BIP
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@Article{CiCC-4-9,
author = {Shouyang Sun, Peng Song and Fengcai Ma},
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
AU - Shouyang Sun, Peng Song & Fengcai Ma
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 and Fengcai Ma. (2016). 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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