Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-aminophthalimide (4AP) in aqueous solution: 4AP and 4AP-(H2O)1,2 clusters

Journal of Computational Chemistry ◽

10.1002/jcc.21504 ◽

2010 ◽

Vol 31 (11) ◽

pp. 2157-2163 ◽

Author(s):

Rui Wang ◽

Ce Hao ◽

Peng Li ◽

Ning-Ning Wei ◽

Jingwen Chen ◽

...

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates

Journal of Cluster Science ◽

10.1007/s10876-011-0421-3 ◽

2011 ◽

Vol 23 (1) ◽

pp. 155-164 ◽

Author(s):

Mingxian Ma ◽

Dapeng Yang

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Acetic Acid ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Excited-State Hydrogen Bonding Dynamics of Hydrogen-Bonded Clusters Formed by of Coumarin Derivatives in Aqueous Solution: A Time-Dependent Density Functional Theory Study

Journal of Cluster Science ◽

10.1007/s10876-012-0466-y ◽

2012 ◽

Vol 23 (2) ◽

pp. 535-544 ◽

Author(s):

Mingzhen Zhang ◽

Changxin Zhao ◽

Yi Wang

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Time Dependent ◽

Coumarin Derivatives ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

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 ◽

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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Hydrogen-bonding dynamics of photoexcited coumarin 138 and 339 in protic methanol solution: Time-dependent density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.03.005 ◽

2015 ◽

Vol 1061 ◽

pp. 6-11 ◽

Author(s):

Shuo Chai ◽

Jing Wang ◽

Shao-Ying Zhu ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Solution Time ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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A time-dependent density functional theory study on the effect of electronic excited-state hydrogen bonding on luminescent MOFs

Dalton Transactions ◽

10.1039/c2dt32575f ◽

2013 ◽

Vol 42 (10) ◽

pp. 3464-3470 ◽

Author(s):

Min Ji ◽

Ce Hao ◽

Dandan Wang ◽

Hongjiang Li ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Electronic Excited-State Hydrogen Bonding of Benzonitrile in Methanol Solution

Journal of Cluster Science ◽

10.1007/s10876-014-0686-4 ◽

2014 ◽

Vol 25 (4) ◽

pp. 1019-1028 ◽

Author(s):

Dapeng Yang ◽

Ruiquan Qi

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density

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Time-dependent density functional theory study on the excited-state hydrogen-bonding characteristics of polyaniline in aqueous environment

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2016.08.039 ◽

2017 ◽

Vol 171 ◽

pp. 305-310 ◽

Author(s):

Yahong Zhang ◽

Yuping Duan ◽

Jin Liu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Aqueous Environment ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bonding Characteristics ◽

Dependent Density

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Time-dependent density functional theory study on the excited-state hydrogen bonding strengthening of photoexcited 4-amino-1,8-naphthalimide in hydrogen-donating solvents

Journal of Physical Organic Chemistry ◽

10.1002/poc.3084 ◽

2013 ◽

Vol 26 (4) ◽

pp. 289-294 ◽

Author(s):

Jianfang Cao ◽

Tong Wu ◽

Wen Sun ◽

Chong Hu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Hydrogen and Dihydrogen Bonding in Electronically Excited State of 2-Pyridone–Borane–Trimethylamine Cluster

Journal of Cluster Science ◽

10.1007/s10876-013-0572-5 ◽

2013 ◽

Vol 24 (2) ◽

pp. 459-470 ◽

Author(s):

Ningning Wei ◽

Adel Hamza ◽

Ce Hao ◽

Zhilong Xiu ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronically Excited State ◽

Dihydrogen Bonding ◽

Electronically Excited ◽

Dependent Density

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