João Batista Lopes Martins
Affiliations: | University of Brasília, Brazil, Brasília, Distrito Federal, Brazil |
Area:
Computional chemistryGoogle:
"João Martins"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Juan Andrés Bort | grad student | 1991-1994 | UJI | |
| (PhD Sandwich) | ||||
| Elson Longo | grad student | 1989-1995 | Ufscar | |
| (MSC and PhD) | ||||
Children
Sign in to add trainee| Elton Anderson Santos | grad student | 2003-2007 | University of Brasília, Brazil |
BETA: Related publications
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Publications
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| Olinto da Silva G, Martins JB. (2019) Effect of Hubbard parameter and semi-empirical van der Waals correction on benzene adsorption over anatase TiO2 (1 0 1) surface Computational and Theoretical Chemistry. 1164: 112552 |
| Nascimento ÉC, Oliva M, Świderek K, et al. (2017) Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations. Journal of Chemical Information and Modeling |
| Sodré JM, Longo E, Taft CA, et al. (2017) Electronic structure of GaN nanotubes Comptes Rendus Chimie. 20: 190-196 |
| da Cunha WF, de Oliveira RM, Roncaratti LF, et al. (2014) Rovibrational energies and spectroscopic constants for H2O-Ng complexes. Journal of Molecular Modeling. 20: 2498 |
| Durães JA, da Silva Filho DA, Ceschin AM, et al. (2014) Investigation of the torsional barrier of EDOT using molecular mechanics and DFT methods. Journal of Molecular Modeling. 20: 2405 |
| Cunha WF, Gargano R, Garcia E, et al. (2014) Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers. Journal of Molecular Modeling. 20: 2298 |
| Paura EN, da Cunha WF, de Oliveira Neto PH, et al. (2013) Vibrational and electronic structure analysis of a carbon dioxide interaction with functionalized single-walled carbon nanotubes. The Journal of Physical Chemistry. A. 117: 2854-61 |
| Farias SA, Longo E, Gargano R, et al. (2013) CO2 adsorption on polar surfaces of ZnO. Journal of Molecular Modeling. 19: 2069-78 |
| Moraes E, Gargano R, Politi J, et al. (2013) A Theoretical Investigation of ZnO Nanotubes: Size and Diameter Current Physical Chemistry. 3: 400-407 |
| Santos J, Ferreira M, Martins J, et al. (2013) Computational Studies of [(SnO2)n]m Nanotubes Current Physical Chemistry. 3: 451-476 |