The electric field experienced by an acid molecule in the acid-water cluster depends on its local environment comprising of surrounding water molecules. A critical field of about 193 and 163 MV cm(-1) is required for the dissociation of HCl and HBr, respectively, and is associated with the arrangement of water molecules around the acid. The critical field required for dissociation of isolated HCl and HBr is 510 and 462 MV cm(-1), respectively. Hence the solvation of the proton and the halide anion by water molecules substantially lowers the critical electric field by about 300 MV cm(-1), relative to vacuum
Many organic compounds contain acidic and/or basic functional groups that dictate their physical, ch...
The cyclic voltammetric technique is used to study hydrogen-bond formation in some polar organic sol...
<p>The potential energy surface of HCl/water clusters with two water molecules, with molecular geome...
Acid dissociation, and thus liberation of excess protons in small water droplets, impacts on diverse...
High level ab initio calculations are employed to investigate the excess electron attachment to the ...
This research investigated the effects of electric field strength and dielectric constant on rates o...
International audienceThe behavior of liquid water under an electric field is a crucial phenomenon i...
Understanding the inherent response of water to an external electric (E)-field is useful towards dec...
Matrix effects on the optimized geometries and the electronic properties of acid-base complexes XHB,...
The understanding of the structure of hydrogen (H) bonding liquids in electric (E) fields is importa...
© The Author(s) 2019. The present study provides a theoretical framework for mechanistic investigati...
In this work, we studied the effect of an applied electric field on the dissociation of acetic acid ...
Acid ionization in aprotic media is studied using molecular dynamics techniques. In particular, mode...
The electric field experienced by a water molecule within a water cluster depends on its position re...
Close-coupling scattering calculations have been carried out to predict the magnitude of electric fi...
Many organic compounds contain acidic and/or basic functional groups that dictate their physical, ch...
The cyclic voltammetric technique is used to study hydrogen-bond formation in some polar organic sol...
<p>The potential energy surface of HCl/water clusters with two water molecules, with molecular geome...
Acid dissociation, and thus liberation of excess protons in small water droplets, impacts on diverse...
High level ab initio calculations are employed to investigate the excess electron attachment to the ...
This research investigated the effects of electric field strength and dielectric constant on rates o...
International audienceThe behavior of liquid water under an electric field is a crucial phenomenon i...
Understanding the inherent response of water to an external electric (E)-field is useful towards dec...
Matrix effects on the optimized geometries and the electronic properties of acid-base complexes XHB,...
The understanding of the structure of hydrogen (H) bonding liquids in electric (E) fields is importa...
© The Author(s) 2019. The present study provides a theoretical framework for mechanistic investigati...
In this work, we studied the effect of an applied electric field on the dissociation of acetic acid ...
Acid ionization in aprotic media is studied using molecular dynamics techniques. In particular, mode...
The electric field experienced by a water molecule within a water cluster depends on its position re...
Close-coupling scattering calculations have been carried out to predict the magnitude of electric fi...
Many organic compounds contain acidic and/or basic functional groups that dictate their physical, ch...
The cyclic voltammetric technique is used to study hydrogen-bond formation in some polar organic sol...
<p>The potential energy surface of HCl/water clusters with two water molecules, with molecular geome...