검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I) Sethio D, Martins JBL, Daku LML, Hagemann H, Kraka E Journal of Physical Chemistry A, 124(8), 1619, 2020 |
| 2 |
Improving the Description of the Optical Properties of Carotenoids by Tuning the Long-Range Corrected Functionals Lima IT, Prado AD, Martins JBL, Neto PHD, Ceschin AM, da Cunha WF, da Silva DA Journal of Physical Chemistry A, 120(27), 4944, 2016 |
| 3 |
Relativistic Four-Component Potential Energy Curves for the Lowest 23 Covalent States of Molecular Bromine (Br-2) Gomes JD, Gargano R, Martins JBL, de Macedo LGM Journal of Physical Chemistry A, 118(31), 5818, 2014 |
| 4 |
Electronic and optical properties of BGO:Nd: The role of localized and delocalized f electrons de Farias SAS, Lalic MV, Martins JBL Chemical Physics Letters, 578, 76, 2013 |
| 5 |
Vibrational and Electronic Structure Analysis of a Carbon Dioxide Interaction with Functionalized Single-Walled Carbon Nanotubes Paura ENC, da Cunha WF, Neto PHD, Silva GME, Martins JBL, Gargano R Journal of Physical Chemistry A, 117(13), 2854, 2013 |
| 6 |
Bonding and electronic structure of sillenites Farias SAS, Martins JBL Chemical Physics Letters, 533, 78, 2012 |
| 7 |
A chromophoric study of 2-ethylhexyl p-methoxycinnamate Alves LF, Gargano R, Alcanfor SKB, Romeiro LAS, Martins JBL Chemical Physics Letters, 516(4-6), 162, 2011 |
| 8 |
A Computational Investigation of the Multiple Channels of the NF2 + F Reaction Ramalho SS, Barreto PRP, Martins JBL, Silva GME, Gargano R Journal of Physical Chemistry A, 113(52), 14336, 2009 |
| 9 |
Theoretical Study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O Dimers Martins JBL, Politi JRS, Garcia E, Vilela AFA, Gargano R Journal of Physical Chemistry A, 113(52), 14818, 2009 |
| 10 |
Theoretical study of classical acetylcholinesterase inhibitors Nascimento ECM, Martins JBL, dos Santos ML, Gargano R Chemical Physics Letters, 458(4-6), 285, 2008 |