scholarly journals Correction to: Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

2017 ◽  
Vol 23 (12) ◽  
Author(s):  
Jiacheng Yi ◽  
Hua Fang
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Substituent Effect ◽  
Excited State Proton Transfer

scholarly journals Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation

2016 ◽  
Vol 177 ◽  
pp. 197-203 ◽  
Author(s):  
Zongjin Qu ◽  
Peng Li ◽  
Xuexiang Zhang ◽  
Endong Wang ◽  
Yanni Wang ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Excited State Proton Transfer

scholarly journals Tailoring the Schiff base photoswitching – a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer

2017 ◽  
Vol 19 (7) ◽  
pp. 5318-5325 ◽  
Author(s):  
Joanna Jankowska ◽  
Mario Barbatti ◽  
Joanna Sadlej ◽  
Andrzej L. Sobolewski
Keyword(s):  
Molecular Dynamics ◽  
Schiff Base ◽  
Excited State ◽  
Proton Transfer ◽  
Substituent Effect ◽  
Transfer Efficiency ◽  
Excited State Proton Transfer

Dynamics reveals how to design chemical substitutions to control excited-state proton transfer efficiency.

Theoretical investigation of excited-state proton transfer (ESPT) for 2,5-bis(2-benzothiazolyl)hydroquinone: single or double?

2019 ◽  
Vol 118 (14) ◽  
pp. e1705413 ◽  
Author(s):  
Fuhua Huang ◽  
Beibei An ◽  
Yumiao Jiang ◽  
Shuopan Dun ◽  
Jinglai Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Theoretical Investigation ◽  
Excited State Proton Transfer

Excited state proton transfer in 2′-hydroxychalcone derivatives

2017 ◽  
Vol 19 (3) ◽  
pp. 2409-2416 ◽  
Author(s):  
Michael Dommett ◽  
Rachel Crespo-Otero
Keyword(s):  
Excited State ◽  
Solid State ◽  
Proton Transfer ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Excited State Proton Transfer

ESIPT-active solid-state emitters based on 2-hydroxychalcone are almost non-emissive in solution but emit in the deep red/NIR region when crystalline. A comprehensive theoretical investigation of the gas-phase excited state relaxation pathways in five 2-hydroxychalcone systems is presented, using a combination of static and non-adiabatic simulations.

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