| 1 |
Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case
Strutynski K, Gomes JANF, Melle-Franco M
Journal of Physical Chemistry A, 118(40), 9561, 2014 |
| 2 |
New Parameterization Scheme of DFT-D for Graphitic Materials
Strutynski K, Melle-Franco M, Gomes JANF
Journal of Physical Chemistry A, 117(13), 2844, 2013 |
| 3 |
Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100)
Santos HRR, Ramos MJ, Gomes JANF
Chemical Physics Letters, 448(1-3), 111, 2007 |
| 4 |
Comparative density functional theory study on thiacalix[4]arene binding modes for Zn2+ and Cu2+
Suwattanamala A, Magalhaes AL, Gomes JANF
Journal of Physical Chemistry A, 109(47), 10742, 2005 |
| 5 |
Structure and conformational equilibrium of new thiacalix[4]arene derivatives
Suwattanamala A, Magalhaes AL, Gomes JANF
Chemical Physics Letters, 385(5-6), 368, 2004 |
| 6 |
Structure and properties of hexadecyltrimethylammonium chloride monolayers in contact with oil films with different thicknesses
dos Santos DJVA, Gomes JANF
Journal of Physical Chemistry B, 108(44), 17153, 2004 |
| 7 |
Molecular dynamics study of a hexadecyltrimethylammonium chloride monolayer at the interface between two immiscible liquids
dos Santos DJVA, Gomes JANF
Langmuir, 19(3), 958, 2003 |
| 8 |
Aromaticity and ring currents
Gomes JANF, Mallion RB
Chemical Reviews, 101(5), 1349, 2001 |
| 9 |
First-principles study of the adsorption of formaldehyde on the clean and atomic oxygen covered Cu(111) surface
Gomes JRB, Gomes JANF, Illas F
Journal of Molecular Catalysis A-Chemical, 170(1-2), 187, 2001 |
| 10 |
A theoretical study of the gas-phase pyrolysis of 2-azidoacetic acid
Cordeiro MNDS, Dias AA, Costa ML, Gomes JANF
Journal of Physical Chemistry A, 105(13), 3140, 2001 |
