Mostrar resultados 1-20 de 22.
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Data de publicação | Título | Autor(es) | Tipo | Acesso |
10-Jul-1997 | Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2 | Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
1995 | Colisões 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 | doctoralThesis | embargoedAccess |
1999 | Comparative trajectory surface hopping study for the Li+Li2(X1g+), Na+Li2(X1g+) and Li+Na2(X1g+) dissociation reactions | Marques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. | article | openAccess |
31-Out-1996 | Dynamics Study of the H + ArO2 Multichannel Reaction | Marques, J. M. C. ; Wang, W. ; Pais, A. A. C. C. ; Varandas, A. J. C. | article | openAccess |
2020 | Editorial: Application of Optimization Algorithms in Chemistry | Marques, Jorge M. C. ; Martínez-Núñez, Emilio ; Hase, William L. | article | openAccess |
Set-2016 | Estudo computacional da estrutura e energética de modelos simples de proteínas | Fins, Wasina Ribeiro dos Santos | masterThesis | openAccess |
11-Mai-2022 | Intermolecular Forces: From Atoms and Molecules to Nanostructures | Marques, Jorge M. C. ; Prudente, Frederico V. ; Pirani, Fernando | article | openAccess |
Mai-2012 | Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayers | José Nogueira, Juan ; Sánchez-Coronilla, Antonio ; Marques, Jorge M. C. ; Hase, William L. ; Martínez-Núñez, Emilio ; Vázquez, Saulo A. | article | openAccess |
2007 | Kinetics and dynamics of O + OClO reaction in a modified many-body expansion potential energy surface for ClO3 | Teixeira, O. B. M. ; Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
18-Abr-2002 | Li + Li2 Dissociation Reaction Using the Self-Consistent Potential and Trajectory Surface Hopping Methods | Marques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. | article | openAccess |
2003 | O método das trajectórias clássicas: colisões coplanares do tipo A+BC | Marques, Jorge M. C. ; Riganelli, Antonio ; Varandas, António J. C. | article | openAccess |
16-Dez-1999 | Mode Specificity Study in Unimolecular Dissociation of Nonrotating H2O, DHO, and MuHO Molecules | Llanio-Trujillo, J. L. ; Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
Abr-2019 | Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water | Estrada, F. G. A. ; Marques, Jorge M. C. ; Valente, Artur José Monteiro | article | openAccess |
1-Out-2013 | New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: water versus methanol | Llanio-Trujillo, J. L. ; Marques, J. M. C. ; Pereira, F. B. | article | openAccess |
10-Jul-2008 | On the Use of Different Potential Energy Functions in Rare-Gas Cluster Optimization by Genetic Algorithms: Application to Argon Clusters | Marques, J. M. C. ; Pereira, F. B. ; Leitão, T. | article | openAccess |
16-Mai-2023 | Reduced Chitosan as a Strategy for Removing Copper Ions from Water | Matias, Pedro M. C. ; Sousa, Joana F. M. ; Bernardino, Eva F. ; Vareda, João P. ; Durães, Luisa ; Abreu, Paulo E. ; Marques, Jorge M. C. ; Murtinho, Dina Maria B. ; Valente, Artur J. M. | article | openAccess |
2007 | Symmetry numbers and chemical reaction rates | Fernández-Ramos, Antonio ; Ellingson, Benjamin ; Meana-Pañeda, Rubén ; Marques, Jorge ; Truhlar, Donald | article | openAccess |
16-Abr-2022 | Thermodynamic Signatures of Structural Transitions and Dissociation of Charged Colloidal Clusters: A Parallel Tempering Monte Carlo Study | Prudente, Frederico V. ; Marques, Jorge M. C. | article | openAccess |
20-Mai-2020 | A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon | Guimarães, M. N.; Almeida, M. M. de; Marques, J. M. C. ; Prudente, F. V. | article | embargoedAccess |
8-Jun-2006 | Trajectory Dynamics Study of Collision-Induced Dissociation of the Ar + CH4 Reaction at Hyperthermal Conditions: Vibrational Excitation and Isotope Substitution | Marques, J. M. C. ; Martínez-Núñez, E. ; Vázquez, S. A. | article | openAccess |