Buscar
Mostrando ítems 1-10 de 4911
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 ...
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 ...
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 ...
ONIOM study of dissociated hydrogen and water on ZnO surface
(Wiley-Blackwell, 2012-10-05)
ONIOM calculations using CCSD theory have been performed to study the dissociation of hydrogen and water molecules on ZnO surface. Three different cluster models were used to study the influence of ONIOM layer size at 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 ...
ONIOM study of dissociated hydrogen and water on ZnO surface
(Wiley-Blackwell, 2012-10-05)
ONIOM calculations using CCSD theory have been performed to study the dissociation of hydrogen and water molecules on ZnO surface. Three different cluster models were used to study the influence of ONIOM layer size at the ...
PH dependence of the dissociation of multimeric hemoglobin probed by high hydrostatic pressure
(Elsevier Science BvAmsterdamHolanda, 2007)