Add to ORKGA nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields
The high polarizability of halide anions affects, in aqueous solutions, many phenomena ranging from ...
Recent theoretical and experimental studies have shown that polarizable anions, such as iodide and b...
1 ABSTRACT IN ENGIISři Abstract in English The present thesis consists of ten publicationsl-10 in in...
A nonperturbative theory is presented which allows us to calculate the solvation free energy of pola...
We present results from theoretical studies of aqueous ionic solvation of alkali halides aimed at de...
In this thesis we conduct a thorough study of the forces that act on ions when they are near air-wat...
We present a new quantum mechanical model to introduce Pauli repulsion interaction between a molecul...
In this work, a theoretical study of static polarizabilities of halides (fluoride, chloride, bromide...
Explaining and predicting the distribution of ions at the air-water interface has been a central cha...
Explaining and predicting the distribution of ions at the air water interface has been a central cha...
Ion specific effects are common in colloidal and biological systems. Bubble lifetime before coalesce...
Anions generally associate more favorably with the air-water interface than cations. In addition to ...
The presence of certain anions at the aqueous liquid-vapor interface is often attributed to polariza...
By treating both the short-range (solvation) and long-range (image force) electrostatic forces as we...
Dipole polarizabilities of a series of ions in aqueous solutions are computed from first-principles....
The high polarizability of halide anions affects, in aqueous solutions, many phenomena ranging from ...
Recent theoretical and experimental studies have shown that polarizable anions, such as iodide and b...
1 ABSTRACT IN ENGIISři Abstract in English The present thesis consists of ten publicationsl-10 in in...
A nonperturbative theory is presented which allows us to calculate the solvation free energy of pola...
We present results from theoretical studies of aqueous ionic solvation of alkali halides aimed at de...
In this thesis we conduct a thorough study of the forces that act on ions when they are near air-wat...
We present a new quantum mechanical model to introduce Pauli repulsion interaction between a molecul...
In this work, a theoretical study of static polarizabilities of halides (fluoride, chloride, bromide...
Explaining and predicting the distribution of ions at the air-water interface has been a central cha...
Explaining and predicting the distribution of ions at the air water interface has been a central cha...
Ion specific effects are common in colloidal and biological systems. Bubble lifetime before coalesce...
Anions generally associate more favorably with the air-water interface than cations. In addition to ...
The presence of certain anions at the aqueous liquid-vapor interface is often attributed to polariza...
By treating both the short-range (solvation) and long-range (image force) electrostatic forces as we...
Dipole polarizabilities of a series of ions in aqueous solutions are computed from first-principles....
The high polarizability of halide anions affects, in aqueous solutions, many phenomena ranging from ...
Recent theoretical and experimental studies have shown that polarizable anions, such as iodide and b...
1 ABSTRACT IN ENGIISři Abstract in English The present thesis consists of ten publicationsl-10 in in...