| 1 |
A high-level theoretical characterization of the electronic states and spectroscopic parameters of SrBr2+ and SrI2+, and thermodynamic stability in the family of strontium monohalides dications
de Melo GF, Ornellas FR
Chemical Physics Letters, 722, 12, 2019 |
| 2 |
The thermodynamic stability of strontium monohalides dications: A theoretical exploration of the electronic states and spectroscopic parameters of SrF2+ and SrCl2+
de Melo GF, Ornellas FR
Chemical Physics Letters, 712, 118, 2018 |
| 3 |
Electronic states and spectroscopic parameters of selenium monoiodide, SeI: A theoretical contribution
Belinassi AR, Alves TV, Ornellas FR
Chemical Physics Letters, 671, 78, 2017 |
| 4 |
Metastability of the low-lying electronic states of CBr2+: A CASSCF/MRCI study
Lins IA, Belinassi AR, Ornellas FR, Alves TV
Chemical Physics Letters, 682, 108, 2017 |
| 5 |
Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods
Batista APD, Zahariev F, Slowing II, Braga AAC, Ornellas FR, Gordon MS
Journal of Physical Chemistry B, 120(8), 1660, 2016 |
| 6 |
The low-lying electronic states of BeI: Accounting for spin-orbit effects on the energetic profile characterization and molecular properties
de Lima JCB, Alves TV, de Oliveira-Filho AGS, Ornellas FR
Chemical Physics Letters, 623, 22, 2015 |
| 7 |
The Fault in Their Shapes: Investigating the Surface-Plasmon-Resonance-Mediated Catalytic Activities of Silver Quasi-Spheres, Cubes, Triangular Prisms, and Wires
da Silva AGM, Rodrigues TS, Wang JL, Yamada LK, Alves TV, Ornellas FR, Ando RA, Camargo PHC
Langmuir, 31(37), 10272, 2015 |
| 8 |
Direct dynamics investigation of the reaction S(P-3) + CH4 -> CH3 + SH((2)Pi)
Alves TV, Alves MM, Roberto-Neto O, Ornellas FR
Chemical Physics Letters, 591, 103, 2014 |
| 9 |
Energy Disposal and Thermal Rate Constants for the OH plus HBr and OH plus DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface
de Oliveira AGS, Ornellas FR, Bowman JM
Journal of Physical Chemistry A, 118(51), 12080, 2014 |
| 10 |
Thermal Rate Constants for the O(P-3) + HBr and O(P-3) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations
de Oliveira AGS, Ornellas FR, Peterson KA, Mielke SL
Journal of Physical Chemistry A, 117(48), 12703, 2013 |
