Laboratório de Física Molecular Teórica

Artigos

2023

Judith de P. Araújo, Maikel Y. Ballester, Mariana P. Martins, Rafael P. Silva, Isadora G. Lugão, Ituen B. Okon and Clement A. Onate “A methodology to obtain Accurate Potential Energy Functions for Diatomic Systems: Mathematical point of view” accepted at INTERMATHS

Ramon S. da Silva, Laiz R. Ventura, Maikel Y. Ballester, Carlos E. Fellows“New analysis of the 12 C16 O+ (B2 + – X2 + ) system: Spin-orbit and spin-rotation coupling of the X2 + state” Journal of Quantitative Spectroscopy & Radiative Transfer 308 (2023) 10866. doi:10.1016/j.jqsrt.2023.108668

Vídeos dos Estudantes de Iniciação Científica SEMIC 2021

Uma Proposta para a Representação de Superfícies de Energia Potencial

Sintetização do espectro de emissão óptica do plasma de nitrogênio em baixa pressão

Artigos

2021

• Ramon S.da Silva Maikel Y.Ballester Laiz R.Ventura Carlos E.Fellows “Theoretical study of the spin-orbit coupling in the X2Π state of NO”  Chem. Phys. Lett. Jul. Volume 780, October 2021, 138896   

• Laiz R. Ventura, Ramon S. da Silva, Maikel Y. Ballester, Carlos E. Fellows “Revisiting 12C 16O + First Negative System: an experimental and theoretical study”   Journal of Quantitative Spectroscopy and Radiative Transfer. Volume 256, November 2020, 107312 https://doi.org/10.1016/j.jqsrt.2020.107312

• Maikel Y. Ballester “On apparent barrier-free reactions” accepted for publication at QUARKS: Brazilian Electronic Journal of Physics, Chemistry and Material Science https://periodicos.ufjf.br/index.php/quarks e-ISSN:2674-9688

• Ramon S. da Silva and Maikel Y. Ballester, “Infrared radiative transition probabilities for the LiS(A2Σ+-X2Π) band system” Chem. Phys. Volume 539, 1 November 2020, 110935 https://doi.org/10.1016/j.chemphys.2020.110935

• Delvany G de Castro, Yuzhi Song and Maikel Y. Ballester, “A global potential energy surface for the ground electronic state of SSiH” J. Phys. B: At. Mol. Opt. Phys. 53 175203 https://doi.org/10.1088/1361-6455/ab9d03

• Ramon S. da Silva , Laiz R. Ventura , Carlos E. Fellows,  and Maikel Y. Ballester, A novel investigation of the N2(C3Πu → B 3Πg) and N2(C005Πu → A05Σ + g ) band systems using accurate functional form. Journal of Quantitative Spectroscopy and Radiative Transfer. Volume 253, September 2020, 107130 https://doi.org/10.1016/j.jqsrt.2020.107130

• Juan de Dios Garrido, Samah Ellakkis, and Maikel Y. Ballester,  A new interpretation of the experimental data for the OH+SO collision considering the recrossing reaction. Molecular Physics. DOI: 10.1080/00268976.2020.1751321

•  Ramon S. da Silva and Maikel Y. BallesterA theoretical investigation of the  $${{\rm SO}}({{B}^{3}\Sigma ^{-}{-}{X}^{3}\Sigma ^{-}}$$SO(B3Σ–X3Σ-)vibronic transition using accurate analytical potential energy functions. Theoretical Chemistry Accountsvolume 139, Article number: 55 (2020)

2019

• Juan De Dios Garrido; Samah Ellakkis; Maikel Y Ballester Relaxation of Vibrationally Excited OH Radical by SO. J. Chem. Phys. A.  2019, 123, 42, 8994–9007

• Delvany de Castro; Luis Poveda; Lucas Crispim and Maikel Y BallesterA Quasi-Classical Trajectory Study of NH+ NH Reactive Collisions. J. Chem. Phys. A.  2019, 123, 42, 9113–9122

• Ramon Souza da Silva and Maikel Y Ballester. Potential energy curves, turning points, Franck-Condon factors and r-centroids for the astrophysically interesting S2 molecule. Astrophysics and Space Science.  DOI: 10.1007/s10509-019-3656-3

• Araujo, Judith P.; Alves, Marcos D.; da Silva, Ramon S.; Ballester M. Y. A comparative study of analytic representations of potential energy curves for O-2, N-2, and SO in their ground electronic statesJOURNAL OF MOLECULAR MODELING   Volume: 25   Edição: 7     Número do artigo: 198   Publicado: JUL 2019,DOI: 10.1007/s00894-019-4079-3
  

2018