Bofill i Villà, Josep M.Quapp, WolfgangBernuz, Efrem2020-05-112020-05-112014-09-300259-9791https://hdl.handle.net/2445/159603The 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.17 p.application/pdfeng(c) Springer Verlag, 2014Química quànticaQuímica físicaQuantum chemistryPhysical and theoretical chemistryinfo:eu-repo/semantics/article6492532020-05-11info:eu-repo/semantics/openAccess