Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers

2005 ◽  
Vol 122 (13) ◽  
pp. 134309 ◽  
Author(s):  
Zorka Smedarchina ◽  
Antonio Fernández-Ramos ◽  
Willem Siebrand
Keyword(s):  
Benzoic Acid ◽  
Proton Transfer ◽  
Formic Acid ◽  
Double Proton Transfer ◽  
Tunneling Dynamics

Isotope effects associated with tunneling and double proton transfer in the hydrogen bonds of benzoic acid

2004 ◽  
Vol 120 (23) ◽  
pp. 11107-11119 ◽  
Author(s):  
Q. Xue ◽  
A. J. Horsewill ◽  
M. R. Johnson ◽  
H. P. Trommsdorff
Keyword(s):  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Proton Transfer ◽  
Isotope Effects ◽  
Double Proton Transfer

Dimers of formic acid: Structures, stability, and double proton transfer

2017 ◽  
Vol 147 (4) ◽  
pp. 044312 ◽  
Author(s):  
Paola Farfán ◽  
Andrea Echeverri ◽  
Estefanía Diaz ◽  
Juan David Tapia ◽  
Sara Gómez ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Formic Acid ◽  
Double Proton Transfer

Solvent Dependence of Double Proton Transfer in the Formic Acid–Formamidine Complex: Path Integral Molecular Dynamics Investigation

2017 ◽  
Vol 121 (39) ◽  
pp. 7324-7334 ◽  
Author(s):  
Nawee Kungwan ◽  
Chanisorn Ngaojampa ◽  
Yudai Ogata ◽  
Tsutomu Kawatsu ◽  
Yuki Oba ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Proton Transfer ◽  
Formic Acid ◽  
Path Integral ◽  
Double Proton Transfer ◽  
Solvent Dependence
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