1 pag., 1 fig. -- Open Access funded by Creative Commons Atribution Licence 3.0The behavior of ions in aqueous environment is of fundamental interest in physics and chemistry. A topic of research is focused on the modeling of the ion-ion, ion-water, and water-water interactions. So far, the water-water interactions has been widely studied what has lead to a variety of water potential models of increasing complexity. However, how ions change the water network is an open debate in the literature. Thus, the development of a generalized representation for the ion-water interactions coupled to available reliable water models provide a rational route to follow for studying ion-hydrates from finite-size cluster systems to condensed phase.Peer Rev...
Countless molecular dynamics studies have relied on available ion and water force field parameters t...
This work presents the development of first-principles bromide ion–water interaction potentials usin...
The dynamic and energetic properties of the alkali and halide ions were calculated using molecular d...
Ion specific effects in aqueous environments are of fundamental interest across interdisciplinary fi...
<div> <div> <div> <p>Despite the key role that ionic solutions play in several natural and industria...
11 págs.; 7 figs.; 4 tabs.New potential energy functions (i-TTM) describing the interactions between...
1 pág.; 1 fig.; XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC...
The development of first-principles halide-water interaction potentials for fluoride and iodide anio...
New potential energy functions (i-TTM) describing the interactions between halide ions and water mol...
The calculation of ion-ion interactions in water is a problem of long standing importance. Modelling...
The calculation of ion-ion interactions in water is a problem of long standing importance. Modelling...
The properties of aqueous ionic solutions are determined by strong electrostatic interactions, which...
Recently many various research groups have devoted a huge effort to develop a realistic classical fo...
16 pags., 6 figs. --This article belongs to the Section Computational and Theoretical ChemistryDisso...
Recently many various research groups have devoted a huge effort to develop a realistic classical fo...
Countless molecular dynamics studies have relied on available ion and water force field parameters t...
This work presents the development of first-principles bromide ion–water interaction potentials usin...
The dynamic and energetic properties of the alkali and halide ions were calculated using molecular d...
Ion specific effects in aqueous environments are of fundamental interest across interdisciplinary fi...
<div> <div> <div> <p>Despite the key role that ionic solutions play in several natural and industria...
11 págs.; 7 figs.; 4 tabs.New potential energy functions (i-TTM) describing the interactions between...
1 pág.; 1 fig.; XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC...
The development of first-principles halide-water interaction potentials for fluoride and iodide anio...
New potential energy functions (i-TTM) describing the interactions between halide ions and water mol...
The calculation of ion-ion interactions in water is a problem of long standing importance. Modelling...
The calculation of ion-ion interactions in water is a problem of long standing importance. Modelling...
The properties of aqueous ionic solutions are determined by strong electrostatic interactions, which...
Recently many various research groups have devoted a huge effort to develop a realistic classical fo...
16 pags., 6 figs. --This article belongs to the Section Computational and Theoretical ChemistryDisso...
Recently many various research groups have devoted a huge effort to develop a realistic classical fo...
Countless molecular dynamics studies have relied on available ion and water force field parameters t...
This work presents the development of first-principles bromide ion–water interaction potentials usin...
The dynamic and energetic properties of the alkali and halide ions were calculated using molecular d...