Showing results (11-20 of 444) with videos related to
Sort By:
Pageof 45
The Journal of Chemical Physics|August 14, 2009
A restricted quantum reaction path Hamiltonian: theory, discrete variable representation propagation algorithm, and applicationsJavier González, Xavier Giménez, Josep Maria BofillJournal of Computational Chemistry|April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational detailsJavier González, Xavier Giménez, Josep Maria BofillJournal of Chemical Theory and Computation|November 24, 2015
The Variational Structure of Gradient ExtremalsJosep Maria Bofill, Wolfgang Quapp, Marc CaballeroJournal of Chemical Theory and Computation|November 24, 2015
A Relation Between the Eikonal Equation Associated to a Potential Energy Surface and a Hyperbolic Wave EquationJosep Maria Bofill, Wolfgang Quapp, Marc CaballeroJournal of Computational Chemistry|April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. II. ApplicationsJavier González, Xavier Giménez, Josep Maria BofillThe Journal of Physical Chemistry. A|October 22, 2009
Bohmian total potential view to quantum effects III. Tunnelling in phase spaceMaría F González, Josep Maria Bofill, Xavier GiménezJournal 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 pathsAntoni Aguilar-Mogas, Xavier Giménez, Josep Maria BofillThe Journal of Chemical Physics|March 19, 2008
Finding reaction paths using the potential energy as reaction coordinateAntoni Aguilar-Mogas, Xavier Giménez, Josep Maria BofillThe Journal of Physical Chemistry. A|March 25, 2017
Analysis of the Acting Forces in a Theory of Catalysis and MechanochemistryWolfgang Quapp, Josep Maria Bofill, Jordi Ribas-AriñoACS Physical Chemistry Au|February 2, 2026
π-π Stacking Determines the Selectivity of Unnatural DNA Base Pairs Even without PolymeraseZahra Noori, Andreu Bermejo, Josep Maria Bofill, et al.Pageof 45