Dottorato di ricerca in scienza dei materiali. 10. ciclo. Supervisore F. A. GianturcoConsiglio Nazionale delle Ricerche - Biblioteca Centrale - P.le Aldo Moro, 7, Rome; Biblioteca Nazionale Centrale - P.za Cavalleggeri, 1, Florence / CNR - Consiglio Nazionale delle RichercheSIGLEITItal
We combine the statistical\u2013mechanical 1D/3D-RISM-KH molecular theory of solvation with DFT elec...
This manuscript is dedicated to Professor Michel Boudart, our teacher as graduate students and our t...
Equilibrium and nonequilibrium molecular dynamics simulations of solvation and solvation dynamics of...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
El argumento fundamental de esta tesis es el estudio de la solvatación iónica por medio de cálculos ...
We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the i...
The solvation bonding of monoatomic cations can be explained based upon the donor · acceptor nature ...
The stepwise solvation-equilibrium model of Stokes and Robinson is used for a description of departu...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
Metal ions solvated in aqueous, non-aqueous, and mixtures of solvents occur in many chemical context...
We have recently described our efforts to use molecular mechanics to investigate reaction profiles o...
The solvation of infinitely dilute solutes in supercritical solvents is illustrated by integral equa...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
A model has been obtained for the solvated K+ ion in the solvents named in the title using a modifie...
It is shown that coordination chemical and extrathermodynamic models may be successfully applied to ...
We combine the statistical\u2013mechanical 1D/3D-RISM-KH molecular theory of solvation with DFT elec...
This manuscript is dedicated to Professor Michel Boudart, our teacher as graduate students and our t...
Equilibrium and nonequilibrium molecular dynamics simulations of solvation and solvation dynamics of...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
El argumento fundamental de esta tesis es el estudio de la solvatación iónica por medio de cálculos ...
We have performed molecular dynamics (MD) simulations to explore the structure and dynamics of the i...
The solvation bonding of monoatomic cations can be explained based upon the donor · acceptor nature ...
The stepwise solvation-equilibrium model of Stokes and Robinson is used for a description of departu...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
Metal ions solvated in aqueous, non-aqueous, and mixtures of solvents occur in many chemical context...
We have recently described our efforts to use molecular mechanics to investigate reaction profiles o...
The solvation of infinitely dilute solutes in supercritical solvents is illustrated by integral equa...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
A model has been obtained for the solvated K+ ion in the solvents named in the title using a modifie...
It is shown that coordination chemical and extrathermodynamic models may be successfully applied to ...
We combine the statistical\u2013mechanical 1D/3D-RISM-KH molecular theory of solvation with DFT elec...
This manuscript is dedicated to Professor Michel Boudart, our teacher as graduate students and our t...
Equilibrium and nonequilibrium molecular dynamics simulations of solvation and solvation dynamics of...