scholarly journals Theoretical investigation of excited-state single and double proton transfer mechanisms for 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol

2017 ◽  
Vol 141 ◽  
pp. 441-447 ◽  
Author(s):  
Jin-Dou Huang ◽  
Kun Yu ◽  
Huipeng Ma ◽  
Shuo Chai ◽  
Bin Dong
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Double Proton Transfer ◽  
Transfer Mechanisms

Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

2015 ◽  
Vol 17 (18) ◽  
pp. 11990-11999 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Jianyong Liu ◽  
Mark R. Hoffmann
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Time Dependent ◽  
Functional Theory ◽  
Double Proton Transfer ◽  
Transfer Mechanisms ◽  
Dependent Density

The excited state intramolecular proton transfer (ESIPT) mechanism of HBO, BBHQ and DHBO have been investigated using time-dependent density functional theory (TDDFT).

A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

2015 ◽  
Vol 17 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Yanling Cui ◽  
Jing Wang ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Transfer Mechanism ◽  
Double Proton Transfer ◽  
Excited State Proton Transfer ◽  
Acid Acid ◽  
Transfer Mechanisms

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.

scholarly journals Insight into the excited-state double proton transfer mechanisms of doxorubicin in acetonitrile solvent

RSC Advances ◽  
2017 ◽  
Vol 7 (81) ◽  
pp. 51318-51323 ◽  
Author(s):  
Xiaoyan Liu ◽  
Jinfeng Zhao ◽  
Yujun Zheng
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Double Proton Transfer ◽  
Transfer Mechanisms ◽  
Insight Into

Doxorubicin (DXR) is theoretically investigated with an aim to explore the excited-state intramolecular double proton transfer (ESIDPT) mechanism regarding stepwise versus synchronous double proton transfer.

A theoretical investigation on the excited state intramolecular single or double proton transfer mechanism of a salicyladazine system

2019 ◽  
Vol 66 (11) ◽  
pp. 1416-1421
Author(s):  
Qiaoli Zhang ◽  
Zhongjian Zhao ◽  
Shibo Cheng ◽  
Guang Yang ◽  
Tianjie Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Transfer Mechanism ◽  
Double Proton Transfer

Density functional theoretical investigation of intramolecular proton transfer mechanisms in the derivatives of 3-hydroxychromone

2017 ◽  
Vol 4 (9) ◽  
pp. 1812-1818 ◽  
Author(s):  
Jin-Dou Huang ◽  
Jianbin Zhang ◽  
Dengyi Chen ◽  
Huipeng Ma
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Derivatives Of ◽  
Transfer Mechanisms

The ground and excited state intramolecular proton transfer mechanisms of 3-HTCA and 3-HTC-DiCN have been investigated systematically.

Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer by Cl substitution

2007 ◽  
Vol 441 (4-6) ◽  
pp. 176-180 ◽  
Author(s):  
Xuan Zhang ◽  
Yusuke Komoto ◽  
Kenji Sakota ◽  
Masayuki Nakagaki ◽  
Haruyuki Nakano ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Mass Effect ◽  
Double Proton Transfer

Ground and Excited-State Acetic Acid Catalyzed Double Proton Transfer in 2-Aminopyridine†

2003 ◽  
Vol 107 (18) ◽  
pp. 3244-3253 ◽  
Author(s):  
Fa-Tsai Hung ◽  
Wei-Ping Hu ◽  
Tsung-Hui Li ◽  
Chung-Chih Cheng ◽  
Pi-Tai Chou
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Double Proton Transfer ◽  
Acid Catalyzed
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