Kleber Carlos Mundim
Affiliations: | Instituto de Química | Universidade de Brasilia, Brasilia, DF, Brasil |
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Sign in to add trainee| Daví Alexsandro Cardoso Ferreira | post-doc | 2012-2016 | Universidade de Brasilia, Brasilia, DF, Brasil |
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Publications
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| Aquilanti V, Borges EP, Coutinho ND, et al. (2018) From statistical thermodynamics to molecular kinetics: the change, the chance and the choice Rendiconti Lincei. Scienze Fisiche E Naturali. 29: 787-802 |
| Carvalho-Silva VH, Aquilanti V, de Oliveira HC, et al. (2017) Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. Journal of Computational Chemistry. 38: 178-188 |
| Coutinho ND, Aquilanti V, Silva VH, et al. (2016) Stereodirectional Origin of Anti-Arrhenius Kinetics for a Tetra-Atomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr. The Journal of Physical Chemistry. A |
| Cavalli S, Aquilanti V, Mundim KC, et al. (2014) Theoretical reaction kinetics astride the transition between moderate and deep tunneling regimes: the F + HD case. The Journal of Physical Chemistry. A. 118: 6632-41 |
| Mundim KC, Tsallis C. (1996) Geometry optimization and conformational analysis through generalized simulated annealing International Journal of Quantum Chemistry. 58: 373-381 |