TDDFT study of the polarity controlled ion-pair separation in an excited-state proton transfer reaction

Author(s):  
Yu-Hui Liu ◽  
Mohan Singh Mehata ◽  
Sheng-Cheng Lan
2014 ◽  
Vol 16 (18) ◽  
pp. 8661-8666 ◽  
Author(s):  
Marika Savarese ◽  
Paolo A. Netti ◽  
Nadia Rega ◽  
Carlo Adamo ◽  
Ilaria Ciofini

The mechanism of intermolecular proton shuttling involved in a prototypical excited state proton transfer reaction is disclosed using DFT and TD-DFT.


1986 ◽  
Vol 90 (21) ◽  
pp. 5154-5164 ◽  
Author(s):  
S. P. Webb ◽  
Laura A. Philips ◽  
Sheila W. Yeh ◽  
Laren M. Tolbert ◽  
J. H. Clark

2013 ◽  
Vol 117 (16) ◽  
pp. 4594-4603 ◽  
Author(s):  
Mirabelle Prémont-Schwarz ◽  
Tamar Barak ◽  
Dina Pines ◽  
Erik T. J. Nibbering ◽  
Ehud Pines

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