Alexandre Braga Rocha (Alexandre B Rocha, A B Rocha)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Energy Transfer

Top Venues

The journal of physical chemistry. A

The Journal of chemical physics

Journal of molecular modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Antonio C F Dos Santos, C A Lucas, Alexsandre F Lago, R R Oliveira, Alexandre Braga Rocha, G G B de Souza
Ionic Fragmentation of the Halothane Molecule Induced by EUV and Soft X-ray Radiation. The journal of physical chemistry. A (2024)
Amanda D Torres, Marcos A S Francisco, Ricardo Rodrigues Oliveira, Alexandre Braga Rocha
Revisiting the Spectrum of Co(CN) 6 3- : The Role of Correlation, Solvation, and Vibronic and Spin-Orbit Couplings. The journal of physical chemistry. A (2023)
Amanda D Torres, Carlos E V de Moura, Ricardo Rodrigues Oliveira, Alexandre Braga Rocha
Comparison among several vibronic coupling methods. Journal of molecular modeling 28 (9) (2022)
Henrique B A Cerqueira, Julia C Santos, Felipe Fantuzzi, Fabio de A Ribeiro, Maria Luiza M Rocco, Ricardo Rodrigues Oliveira, Alexandre Braga Rocha
Structure, Stability, and Spectroscopic Properties of Small Acetonitrile Cation Clusters. The journal of physical chemistry. A 124 (34) (2020)
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha
X-ray Photoionization Cross Section Spectra of Water and Ammonia Bonded on Polycyclic Aromatic Hydrocarbons: A Quantum Mechanical Interpretation to the Absorption Spectra on Graphene. The journal of physical chemistry. A 124 (13) (2020)
Julia C Santos, Alexandre Braga Rocha, Ricardo R Oliveira
Rotational spectrum simulations of asymmetric tops in an astrochemical context. Journal of molecular modeling 26 (10) (2020)
Bruno Nunes Cabral Tenorio, Franciele Kruczkiewicz, Fabio de A Ribeiro, Diana Paula Pinho Andrade, Hugo Milward Riani de Luna, Heloisa Maria Boechat-Roberty, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, Wania Wolff
Soft X-ray Chlorine Photolysis on Chlorobenzene Ice: An Experimental and Theoretical Study. The journal of physical chemistry. A 123 (7) (2019)
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, Sonia Coriani
Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states. The Journal of chemical physics 151 (18) (2019)
Bruno Nunes Cabral Tenorio, Ricardo Rodrigues Oliveira, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha
Coupled Cluster and Time-Dependent Density Functional Theory Description of Inner Shell Photoabsorption Cross Sections of Molecules. Journal of chemical theory and computation 14 (10) (2018)
Antonio C F Dos Santos, D N Vasconcelos, M A MacDonald, M M Sant'Anna, Bruno Nunes Cabral Tenorio, Alexandre Braga Rocha, V Morcelle, N Appathurai, L Zuin
Atomic versus molecular Auger decay in CH2Cl2 and CD2Cl2 molecules. The Journal of chemical physics 149 (5) (2018)
V Morcelle, A Medina, L C Ribeiro, I Prazeres, R R T Marinho, M S Arruda, L A V Mendes, M J Santos, Bruno Nunes Cabral Tenorio, Alexandre Braga Rocha, Antonio C F Dos Santos
Fragmentation of Valence and Carbon Core Excited and Ionized CH2FCF3 Molecule. The journal of physical chemistry. A 122 (51) (2018)
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha
Time-dependent density functional theory description of total photoabsorption cross sections. The Journal of chemical physics 148 (7) (2018)