Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

2011 ◽  
Vol 13 (30) ◽  
pp. 13738 ◽  
Author(s):  
Alya A. Arabi ◽  
Chérif F. Matta
Keyword(s):  
Proton Transfer ◽  
Formic Acid ◽  
Electric Fields ◽  
External Electric Fields ◽  
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

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

scholarly journals The influence of external electric fields on proton transfer tautomerism in the guanine–cytosine base pair

2021 ◽  
Vol 23 (10) ◽  
pp. 6252-6265
Author(s):  
Alexander Gheorghiu ◽  
Peter V. Coveney ◽  
Alya A. Arabi
Keyword(s):  
Molecular Dynamics ◽  
Quantum Mechanics ◽  
Proton Transfer ◽  
Molecular Mechanics ◽  
Electric Fields ◽  
Base Pair ◽  
Realistic Model ◽  
External Electric Fields ◽  
Classical Molecular Dynamics

A detailed investigation is reported of mutagenic guanine–cytosine tautomerization in a realistic model of DNA bathed in intense electric fields using a combination of classical molecular dynamics and quantum mechanics/molecular mechanics methods.

Sign in / Sign up

Export Citation Format

Share Document