The Ability of the Semiempirical PM3 Method to Model Proton Transfer Reactions in Symmetric Hydrogen Bonded Systems

1995 ◽  
Vol 1 (2) ◽  
pp. 68-78
Author(s):  
Bernd Kallies ◽  
Rolf Mitzner
Keyword(s):  
Proton Transfer ◽  
Transfer Reactions ◽  
Pm3 Method ◽  
Proton Transfer Reactions ◽  
Hydrogen Bonded Systems ◽  
Semiempirical Pm3 Method ◽  
Hydrogen Bonded

Ground-state and excited-state multiple proton transfer via a hydrogen-bonded water wire for 3-hydroxypyridine

2014 ◽  
Vol 38 (9) ◽  
pp. 4458-4464 ◽  
Author(s):  
Ye Wang ◽  
Hang Yin ◽  
Ying Shi ◽  
Mingxing Jin ◽  
Dajun Ding
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited States ◽  
Ground State ◽  
Transfer Reactions ◽  
Proton Transfer Reactions ◽  
Hydrogen Bonded

The multiple proton transfer reactions of 3-hydroxypyridine-(H2O)3 have been demonstrated, and a perfect proton transfer cycle has been revealed in the ground and excited states.

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