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Some remarks on the model of the extended gentlest ascent dynamics Bofill i Villà, Josep M. Quapp, Wolfgang Bernuz, Efrem Química quàntica Química física Quantum chemistry Physical and theoretical chemistry The study of molecular systems involves models describing the evolution of the system through barriers separating basins of attraction on a high dimensional potential energy surface. It is a challenge problem inherent to a complex molecular system. Recently Samanta and E (J Chem Phys 136:124104, 2012) have proposed an extended gentlest ascent dynamics where the system should hop from one saddle point on a potential energy surface to a next saddle point. In the present study we do an analysis of this dynamical model using different two-dimensional potential energy surfaces. The extended gentlest ascent dynamics is a model that corresponds in its mathematical formulation to a set of first order ordinary differential equations. Due to this fact the initial conditions and features are also studied to see their effect on the dynamical behavior. 2020-05-11T09:51:21Z 2020-05-11T09:51:21Z 2014-09-30 2020-05-11T09:51:21Z info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion 0259-9791 https://hdl.handle.net/2445/159603 649253 eng Versió postprint del document publicat a: https://doi.org/10.1007/s10910-014-0409-y Journal of Mathematical Chemistry, 2014, vol. 53, num. 1, p. 41-57 https://doi.org/10.1007/s10910-014-0409-y (c) Springer Verlag, 2014 info:eu-repo/semantics/openAccess 17 p. application/pdf Springer Verlag Articles publicats en revistes (Química Inorgànica i Orgànica)