Computational Study of Excited-State Intramolecular-Proton-Transfer ofo-Hydroxybenzaldehyde and Its Derivatives

2009 ◽  
Vol 82 (5) ◽  
pp. 570-573 ◽  
Author(s):  
Shin-ichi Nagaoka ◽  
Hiroyuki Teramae ◽  
Umpei Nagashima
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Computational Study ◽  
Intramolecular Proton Transfer

DFT based computational study on the excited state intramolecular proton transfer processes in o-hydroxybenzaldehyde

2009 ◽  
Vol 71 (5) ◽  
pp. 1728-1735 ◽  
Author(s):  
Sankar Prasad De ◽  
Sankarlal Ash ◽  
Dipak kumar Bhui ◽  
Harekrishna Bar ◽  
Priyanka Sarkar ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Computational Study ◽  
Intramolecular Proton Transfer ◽  
Transfer Processes

Excited state intramolecular proton transfer in 3-hydroxychromone: a DFT-based computational study

2011 ◽  
Vol 37 (11) ◽  
pp. 914-922 ◽  
Author(s):  
Sankarlal Ash ◽  
Sankar Prasad De ◽  
Hasibul Beg ◽  
Ajay Misra
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Computational Study ◽  
Intramolecular Proton Transfer

scholarly journals An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone

2021 ◽  
Vol 154 (18) ◽  
pp. 184107
Author(s):  
Michele Nottoli ◽  
Mattia Bondanza ◽  
Filippo Lipparini ◽  
Benedetta Mennucci
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Enhanced Sampling
Sign in / Sign up

Export Citation Format

Share Document