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 ◽

Cited By ~ 1

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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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 ◽

Cited By ~ 2

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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Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: Time-dependent density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.033 ◽

2013 ◽

Vol 115 ◽

pp. 39-44 ◽

Cited By ~ 5

Author(s):

Shuo Chai ◽

Jie Yu ◽

Yong-Chang Han ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Multiple Hydrogen Bonding ◽

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 ◽

Cited By ~ 247

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 the hydrogen bonding in electronic excited states of 6-amino-3-((thiophen-2-yl) methylene)-phthalide in methanol solution

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.06.013 ◽

2011 ◽

Vol 972 (1-3) ◽

pp. 57-62 ◽

Cited By ~ 3

Author(s):

Hong Dong ◽

Ce Hao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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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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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 ◽

Cited By ~ 28

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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Global double hybrids do not work for charge transfer: A comment on “Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states”

Journal of Computational Chemistry ◽

10.1002/jcc.26478 ◽

2021 ◽

Vol 42 (8) ◽

pp. 528-533

Author(s):

Marcos Casanova‐Páez ◽

Lars Goerigk

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B[sub 12]

The Journal of Chemical Physics ◽

10.1063/1.3190326 ◽

2009 ◽

Vol 131 (10) ◽

pp. 105105 ◽

Cited By ~ 14

Author(s):

Tadeusz Andruniów ◽

Maria Jaworska ◽

Piotr Lodowski ◽

Marek Z. Zgierski ◽

Renata Dreos ◽

...

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronically Excited States ◽

Electronically Excited ◽

Coenzyme B ◽

Dependent Density

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Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex

Journal of Computational Chemistry ◽

10.1002/jcc.21297 ◽

2009 ◽

Vol 30 (16) ◽

pp. 2723-2727 ◽

Cited By ~ 56

Author(s):

Yufang Liu ◽

Junxia Ding ◽

Ruiqiong Liu ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Infrared Spectra ◽

Geometric Structure ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Study of Fe2(CO)9Low-Lying Electronic Excited States

The Journal of Physical Chemistry A ◽

10.1021/jp0646022 ◽

2006 ◽

Vol 110 (47) ◽

pp. 12900-12907 ◽

Cited By ~ 9

Author(s):

Luca Bertini ◽

Claudio Greco ◽

Luca De Gioia ◽

Piercarlo Fantucci

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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