Direct dynamics study of intramolecular proton transfer in hydrogenoxalate anion

1991 ◽  
Vol 113 (20) ◽  
pp. 7504-7508 ◽  
Author(s):  
Thanh N. Truong ◽  
J. Andrew McCammon
Keyword(s):  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Direct Dynamics

Intramolecular proton transfer direct dynamics in the glycolate anion: Isotope effects

1997 ◽  
Vol 107 (7) ◽  
pp. 2407-2414 ◽  
Author(s):  
Antonio Fernández-Ramos ◽  
Jesús Rodrı́guez-Otero ◽  
Miguel A. Rı́os
Keyword(s):  
Proton Transfer ◽  
Isotope Effects ◽  
Intramolecular Proton Transfer ◽  
Direct Dynamics

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
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