| 1 |
Toward the Classical Description of Halogen Bonds: A Quantum Based Generalized Empirical Potential for Fluorine, Chlorine, and Bromine
Santos LA, da Cunha EFF, Ramalho TC
Journal of Physical Chemistry A, 121(12), 2442, 2017 |
| 2 |
Conformational Exploration of Enflurane in Solution and in a Biological Environment
Andrade LAF, Silla JM, Stephens SL, Marat K, da Cunha EFF, Ramalho TC, van Wijngaarden J, Freitas MP
Journal of Physical Chemistry A, 119(43), 10735, 2015 |
| 3 |
Hydrophobic Noncovalent Interactions of Inosine-Phenylalanine: A Theoretical Model for Investigating the Molecular Recognition of Nucleobases
Santos LA, da Cunha EFF, Freitas MP, Ramalho TC
Journal of Physical Chemistry A, 118(31), 5808, 2014 |
| 4 |
Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions
La Porta FA, Ramalho TC, Santiago RT, Rocha MVJ, da Cunha EFF
Journal of Physical Chemistry A, 115(5), 824, 2011 |
| 5 |
Catalytic behavior of niobia species on oxidation reactions: insights from experimental and theoretical models
Ramalho TC, Oliveira LCA, Carvalho KTG, Souza EF, da Cunha EFF, Nazzaro M
Journal of Materials Science, 43(17), 5982, 2008 |
