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Rosendo Valero

Showing results (11-20 of 35) with videos related to

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The Journal of Chemical Physics|August 21, 2009
Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clustersManjeera Mantina, Rosendo Valero, Donald G Truhlar
Journal of Chemical Theory and Computation|June 23, 2017
Performance of the G<sub>0</sub>W<sub>0</sub> Method in Predicting the Electronic Gap of TiO<sub>2</sub> NanoparticlesÁngel Morales-García, Rosendo Valero, Francesc Illas
The Journal of Physical Chemistry. A|June 6, 2008
Adiabatic states derived from a spin-coupled diabatic transformation: semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+Rosendo Valero, Donald G Truhlar, Ahren W Jasper
The Journal of Chemical Physics|July 23, 2004
New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfacesRosendo Valero, Drew A McCormack, Geert-Jan Kroes
The Journal of Chemical Physics|August 3, 2011
Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFTKe Yang, Roberto Peverati, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation|January 5, 2010
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-DichloroethaneRosendo Valero, Lingchun Song, Jiali Gao, et al.
The Journal of Chemical Physics|July 11, 2006
Rotational transitions and diffraction in D2 scattering from the LiF(001) surface: theory and experimentRosendo Valero, Geert-Jan Kroes, Yasin Ekinci, et al.
Journal of Chemical Theory and Computation|January 19, 2021
Barnes Update Applied in the Gauss-Newton Method: An Improved Algorithm to Locate Bond Breaking PointsJosep Maria Bofill, Rosendo Valero, Jordi Ribas-Ariño, et al.
The Journal of Chemical Physics|June 25, 2009
Coupled-surface investigation of the photodissociation of NH3(A): effect of exciting the symmetric and antisymmetric stretching modesDavid Bonhommeau, Rosendo Valero, Donald G Truhlar, et al.
The Journal of Chemical Physics|December 3, 2008
Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001)Rosendo Valero, José R B Gomes, Donald G Truhlar, et al.
Pageof 4

Showing results (11-20 of 35) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|August 21, 2009
Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clustersManjeera Mantina, Rosendo Valero, Donald G Truhlar
Journal of Chemical Theory and Computation|June 23, 2017
Performance of the G<sub>0</sub>W<sub>0</sub> Method in Predicting the Electronic Gap of TiO<sub>2</sub> NanoparticlesÁngel Morales-García, Rosendo Valero, Francesc Illas
The Journal of Physical Chemistry. A|June 6, 2008
Adiabatic states derived from a spin-coupled diabatic transformation: semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+Rosendo Valero, Donald G Truhlar, Ahren W Jasper
The Journal of Chemical Physics|July 23, 2004
New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfacesRosendo Valero, Drew A McCormack, Geert-Jan Kroes
The Journal of Chemical Physics|August 3, 2011
Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFTKe Yang, Roberto Peverati, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation|January 5, 2010
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-DichloroethaneRosendo Valero, Lingchun Song, Jiali Gao, et al.
The Journal of Chemical Physics|July 11, 2006
Rotational transitions and diffraction in D2 scattering from the LiF(001) surface: theory and experimentRosendo Valero, Geert-Jan Kroes, Yasin Ekinci, et al.
Journal of Chemical Theory and Computation|January 19, 2021
Barnes Update Applied in the Gauss-Newton Method: An Improved Algorithm to Locate Bond Breaking PointsJosep Maria Bofill, Rosendo Valero, Jordi Ribas-Ariño, et al.
The Journal of Chemical Physics|June 25, 2009
Coupled-surface investigation of the photodissociation of NH3(A): effect of exciting the symmetric and antisymmetric stretching modesDavid Bonhommeau, Rosendo Valero, Donald G Truhlar, et al.
The Journal of Chemical Physics|December 3, 2008
Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001)Rosendo Valero, José R B Gomes, Donald G Truhlar, et al.
Pageof 4