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Browsing by Author Mario Barbatti
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Showing results 1 to 6 of 6
Issue Date
Title
Author(s)
1-Jan-2013
Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol
Rathawat Daengngern
;
Khanittha Kerdpol
;
Nawee Kungwan
;
Supa Hannongbua
;
Mario Barbatti
7-Jul-2012
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: A TDDFT molecular dynamics study
Nawee Kungwan
;
Felix Plasser
;
Adélia J.A. Aquino
;
Mario Barbatti
;
Peter Wolschann
;
Hans Lischka
1-Jan-2014
Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> clusters in the gas phase
Nawee Kungwan
;
Khanittha Kerdpol
;
Rathawat Daengngern
;
Supa Hannongbua
;
Mario Barbatti
15-Dec-2011
Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)<inf>n</inf>(n = 1-3) clusters in the gas phase: On-the-fly dynamics simulation
Rathawat Daengngern
;
Nawee Kungwan
;
Peter Wolschann
;
Adélia J.A. Aquino
;
Hans Lischka
;
Mario Barbatti
6-Jul-2015
Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer
Rachel Crespo-Otero
;
Nawee Kungwan
;
Mario Barbatti
1-Dec-2013
Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol
Nawee Kungwan
;
Rathawat Daengngern
;
Tammarat Piansawan
;
Supa Hannongbua
;
Mario Barbatti