A Time-dependent Density Functional Theory Study of a Fluorescent Probe to Detect Hydroxyl Radicals: Inhibiting the Twisted Intramolecular Charge-transfer Process

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2021.119928 ◽

2021 ◽

pp. 119928

Author(s):

Gong Bo ◽

Li Bo-Yu ◽

Yin Shou-Liang ◽

Li Yue-Hua ◽

Li Guang-Yue

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Hydroxyl Radicals ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Charge Transfer Process ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Twisted intramolecular charge transfer: A time-dependent density functional theory study on the sensing mechanism of a Schiff base sensor for fluoride

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136894 ◽

2020 ◽

Vol 738 ◽

pp. 136894 ◽

Author(s):

Dong Liu ◽

Lei Shi ◽

Shu-Huan Gao ◽

Yu-Heng Wu ◽

Guang-Yue Li ◽

...

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Twisted Intramolecular Charge Transfer ◽

Dependent Density

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Time-dependent density functional theory study on the hydrogen bonding-induced twisted intramolecular charge-transfer excited states of 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine

Journal of Computational Chemistry ◽

10.1002/jcc.21492 ◽

2010 ◽

pp. NA-NA ◽

Author(s):

Shu-Hui Yin ◽

Yufang Liu ◽

Wei Zhang ◽

Ming-Xing Guo ◽

Peng Song

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol

Journal of Computational Chemistry ◽

10.1002/jcc.20957 ◽

2008 ◽

Vol 29 (12) ◽

pp. 2010-2017 ◽

Author(s):

Guang-Jiu Zhao ◽

Ke-Li Han

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density ◽

Hydrogen Bonded

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Time-dependent density functional theory study on intramolecular charge transfer and solvent effect of dimethylaminobenzophenone

The Journal of Chemical Physics ◽

10.1063/1.1850097 ◽

2005 ◽

Vol 122 (8) ◽

pp. 084314 ◽

Author(s):

Xiao-Hui Duan ◽

Xiang-Yuan Li ◽

Rong-Xing He ◽

Xue-Mei Cheng

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Solvent Effect ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Evaluation of intramolecular charge transfer state of 4-N, N-dimethylamino cinnamaldehyde using time-dependent density functional theory

Journal of Chemical Sciences ◽

10.1007/s12039-013-0446-2 ◽

2013 ◽

Vol 125 (4) ◽

pp. 933-938 ◽

Author(s):

SURAJIT GHOSH ◽

K V S GIRISH ◽

SUBHADIP GHOSH

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Charge Transfer State ◽

Functional Theory ◽

Transfer State ◽

Dependent Density

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Time-dependent density functional theory study of charge transfer in collisions

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1289-5 ◽

2012 ◽

Vol 131 (11) ◽

Author(s):

Guillermo Avendaño-Franco ◽

Bernard Piraux ◽

Myrta Grüning ◽

Xavier Gonze

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Solvent effects and charge transfer states in organic photovoltaics: a time-dependent density functional theory study on the PCPDTBT:PCBM low band gap system

Journal of Photonics for Energy ◽

10.1117/1.jpe.8.032215 ◽

2018 ◽

Vol 8 (03) ◽

pp. 1

Author(s):

Kangmin Liu ◽

Hao Li ◽

Sergei Tretiak ◽

Vladimir Chernyak

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Band Gap ◽

Organic Photovoltaics ◽

Solvent Effects ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Hydrogen-bonded Intramolecular Charge Transfer Excited State of Dimethylaminobenzophenone using Time Dependent Density Functional Theory

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/25/06/654-658 ◽

2012 ◽

Vol 25 (6) ◽

pp. 654-658

Author(s):

Yu-ling Chu ◽

Zhong Yang ◽

Zhe-feng Pan ◽

Jing Liu ◽

Yue-yi Han ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density ◽

Hydrogen Bonded

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Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2018.11.018 ◽

2019 ◽

Vol 371 ◽

pp. 336-340 ◽

Author(s):

Yan Liu ◽

Jian Luo

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Visible Light ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Charge Transfer State ◽

Functional Theory ◽

Transfer State ◽

Dependent Density

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Study of intramolecular charge transfer of Michler’s ketone using time dependent density functional theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.03.019 ◽

2008 ◽

Vol 860 (1-3) ◽

pp. 8-12 ◽

Author(s):

Tanusri Pal ◽

Manidipa Paul ◽

Surajit Ghosh

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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