Browsing by Author Marques, Jorge Manuel Campos

Results 1 to 17 of 17
Issue DateTitleAuthor(s)TypeAccess
10-Jul-1997Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
1995Colisões moleculares em sistemas reactivos e o problema da energia de ponto-zero em dinâmica clássica. (Discussão da Dissertação). Caos determinístico em sistemas hamiltonianos. (Discussão de um Estudo)Marques, Jorge Manuel Campos doctoralThesisembargoedAccess
1999Comparative trajectory surface hopping study for the Li+Li2(X1g+), Na+Li2(X1g+) and Li+Na2(X1g+) dissociation reactionsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
31-Oct-1996Dynamics Study of the H + ArO2 Multichannel ReactionMarques, J. M. C. ; Wang, W. ; Pais, A. A. C. C. ; Varandas, A. J. C. articleopenAccess
2020Editorial: Application of Optimization Algorithms in ChemistryMarques, Jorge M. C. ; Martínez-Núñez, Emilio ; Hase, William L. articleopenAccess
Sep-2016Estudo computacional da estrutura e energética de modelos simples de proteínasFins, Wasina Ribeiro dos Santos masterThesisopenAccess
May-2012Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayersJosé Nogueira, Juan ; Sánchez-Coronilla, Antonio ; Marques, Jorge M. C. ; Hase, William L. ; Martínez-Núñez, Emilio ; Vázquez, Saulo A. articleopenAccess
2007Kinetics and dynamics of O + OClO reaction in a modified many-body expansion potential energy surface for ClO3Teixeira, O. B. M. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
18-Apr-2002Li + Li2 Dissociation Reaction Using the Self-Consistent Potential and Trajectory Surface Hopping MethodsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
16-Dec-1999Mode Specificity Study in Unimolecular Dissociation of Nonrotating H2O, DHO, and MuHO MoleculesLlanio-Trujillo, J. L. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
1-Oct-2013New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: water versus methanolLlanio-Trujillo, J. L. ; Marques, J. M. C. ; Pereira, F. B. articleopenAccess
10-Jul-2008On the Use of Different Potential Energy Functions in Rare-Gas Cluster Optimization by Genetic Algorithms: Application to Argon ClustersMarques, J. M. C. ; Pereira, F. B. ; Leitão, T. articleopenAccess
2007Symmetry numbers and chemical reaction ratesFernández-Ramos, Antonio ; Ellingson, Benjamin ; Meana-Pañeda, Rubén ; Marques, Jorge ; Truhlar, Donald articleopenAccess
20-May-2020A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argonGuimarães, M. N.; Almeida, M. M. de; Marques, J. M. C. ; Prudente, F. V.articleembargoedAccess
8-Jun-2006Trajectory Dynamics Study of Collision-Induced Dissociation of the Ar + CH4 Reaction at Hyperthermal Conditions: Vibrational Excitation and Isotope SubstitutionMarques, J. M. C. ; Martínez-Núñez, E. ; Vázquez, S. A. articleopenAccess
23-Jun-2005Trajectory Dynamics Study of the Ar + CH4 Dissociation Reaction at High Temperatures: the Importance of Zero-Point-Energy EffectsMarques, J. M. C. ; Martínez-Núñez, E. ; Fernández-Ramos, A. ; Vázquez, S. A. articleopenAccess
23-Jul-1998Trajectory Surface Hopping Study of the Li + Li2(X1Σg+) Dissociation ReactionVoronin, A. I. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess