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Polyacids self-dissociation model
(1997-11-20)
This work deals with a model to interpret pH measurements of solutions of weak rodlike polyacids, in the absence of added salts or titrating base. The polyacid is modeled as a series of point charges discretely distributod ...
Polyacids self-dissociation model
(1997-11-20)
This work deals with a model to interpret pH measurements of solutions of weak rodlike polyacids, in the absence of added salts or titrating base. The polyacid is modeled as a series of point charges discretely distributod ...
Role of the range of the dipole function in the classical dynamics of molecular dissociation
(2013-01-03)
The dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses is investigated within the framework of the classical driven Morse oscillator. The interaction between the molecule and the ...
Role of the range of the dipole function in the classical dynamics of molecular dissociation
(2013-01-03)
The dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses is investigated within the framework of the classical driven Morse oscillator. The interaction between the molecule and the ...
Effects of oscillatory behavior of the dipole function on the dissociation dynamics of the classical driven Morse oscillator
(Elsevier B.V., 2012-10-15)
The role of the spatial dependence of dipole coupling on the dissociation dynamics of the classical driven Morse oscillator is investigated, in particular, the effects of oscillatory behavior of the dipole function are ...
Effects of oscillatory behavior of the dipole function on the dissociation dynamics of the classical driven Morse oscillator
(Elsevier B.V., 2012-10-15)
The role of the spatial dependence of dipole coupling on the dissociation dynamics of the classical driven Morse oscillator is investigated, in particular, the effects of oscillatory behavior of the dipole function are ...
Desolvation effects on the dissociation energy of diatomic molecules:Ab initio study of the dissociation of Li-F in polar media
(Springer-Verlag, 1993)
The potential curve of the ground state dissociation of Li-F in water has been studied by a combination of a standard ab initio Hartree-Fock procedure and a perturbative reaction field approach. The electrostatic solute-solvent ...
Dissociative and non-dissociative adsorption of O2 on Cu(111) and CuML/Ru(0001) surfaces: Adiabaticity takes over
(Royal Society of Chemistry, 2017-03)
The role of spin non-adiabatic effects in the reactivity of O2 on metal surfaces has been a matter of debate for several years. By means of density functional theory with a semi-local exchange-correlation functional, and ...