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Journal of Computational Chemistry
|
April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. II. Applications
Javier González, Xavier Giménez, Josep Maria Bofill
The Journal of Chemical Physics
|
August 14, 2009
A restricted quantum reaction path Hamiltonian: theory, discrete variable representation propagation algorithm, and applications
Javier González, Xavier Giménez, Josep Maria Bofill
Journal of Computational Chemistry
|
April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational details
Javier González, Xavier Giménez, Josep Maria Bofill
The Journal of Physical Chemistry. A
|
October 22, 2009
Bohmian total potential view to quantum effects III. Tunnelling in phase space
María F González, Josep Maria Bofill, Xavier Giménez
Journal of Computational Chemistry
|
July 24, 2010
Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths
Antoni Aguilar-Mogas, Xavier Giménez, Josep Maria Bofill
The Journal of Chemical Physics
|
March 19, 2008
Finding reaction paths using the potential energy as reaction coordinate
Antoni Aguilar-Mogas, Xavier Giménez, Josep Maria Bofill
The Journal of Physical Chemistry. A
|
August 19, 2007
Quantum trajectories from a discrete-variable representation method
María Fernanda Gonzalez, Xavier Giménez, Javier Gonzalez-Aguilar, et al.
The Journal of Chemical Physics
|
April 22, 2006
Exact quantum dynamics study of the O(+)+H2(v=0,j=0)-->OH(+)+H ion-molecule reaction and comparison with quasiclassical trajectory calculations
Rodrigo Martínez, Josep M Lucas, Xavier Giménez, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. II. Applications
Javier González, Xavier Giménez, Josep Maria Bofill
The Journal of Chemical Physics
|
August 14, 2009
A restricted quantum reaction path Hamiltonian: theory, discrete variable representation propagation algorithm, and applications
Javier González, Xavier Giménez, Josep Maria Bofill
Journal of Computational Chemistry
|
April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational details
Javier González, Xavier Giménez, Josep Maria Bofill
The Journal of Physical Chemistry. A
|
October 22, 2009
Bohmian total potential view to quantum effects III. Tunnelling in phase space
María F González, Josep Maria Bofill, Xavier Giménez
Journal of Computational Chemistry
|
July 24, 2010
Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths
Antoni Aguilar-Mogas, Xavier Giménez, Josep Maria Bofill
The Journal of Chemical Physics
|
March 19, 2008
Finding reaction paths using the potential energy as reaction coordinate
Antoni Aguilar-Mogas, Xavier Giménez, Josep Maria Bofill
The Journal of Physical Chemistry. A
|
August 19, 2007
Quantum trajectories from a discrete-variable representation method
María Fernanda Gonzalez, Xavier Giménez, Javier Gonzalez-Aguilar, et al.
The Journal of Chemical Physics
|
April 22, 2006
Exact quantum dynamics study of the O(+)+H2(v=0,j=0)-->OH(+)+H ion-molecule reaction and comparison with quasiclassical trajectory calculations
Rodrigo Martínez, Josep M Lucas, Xavier Giménez, et al.
Page
of 1