Rene F. K. Spada

Instituto Tecnológico de Aeronáutica — Brazil

Physics and Astronomy · Physical Sciences

10h-index292citations40works0.92yr avg
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Research Topics

Advanced Chemical Physics Studies(30), Catalytic Processes in Materials Science(7), Atmospheric chemistry and aerosols(6), Spectroscopy and Quantum Chemical Studies(6), Catalysis and Oxidation Reactions(6)

Publications40 total

Accurate Energies for ππ∗ Excited States via Exchange Scaling: the XS-CASSCF method
2025
Thermochemical and Kinetic Investigation of CH <sub>3</sub> NH <sub>2</sub> Production in Titan’s Atmosphere
ACS Omega·2025Open Access
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics
The Journal of Physical Chemistry A·2025· 5 citedOpen Access
Thermochemical and kinetics investigation of elementary reactions to produce acetonitrile (CH3CN) in Titan’s atmosphere
Chemical Physics Letters·2025
Elementary reactions for glycine production in hot and dense interstellar media from $$\text {CH}_{3}\text {COOH}$$, HCOOH, and $$\text {NH}_{2}\text {CH}$$
Journal of Molecular Modeling·2024· 1 cited
Initiative in Quantum Networks and Their Applications at the Aeronautics Institute of Technology (ITA)
Aplicações Operacionais em Áreas de Defesa·2024Open Access
Correction to: Destruction of phosphorus nitride through the N (4<i>S</i>) + PN (1 Σ +) → N2(1 Σ +) + P (4<i>S</i>) reaction
Monthly Notices of the Royal Astronomical Society·2024· 1 citedOpen Access
Teorias Cinéticas para o Estudo de Reações com e sem Ponto de Sela Bem Definidos: Formação de Malononitrila na Atmosfera de Titã
Revista Brasileira de Ensino de Física·2024Open Access
Quantification of the Ionic Character of Multiconfigurational Wave Functions: The <i>Q</i><sub>a</sub><sup>t</sup> Diagnostic
The Journal of Physical Chemistry A·2023· 10 citedOpen Access
Thermochemical and kinetic investigation of the hydrazine borane as an alternative to hydrazine: The N2H4BH3 + H reactional system
Chemical Physics Letters·2023· 1 cited
Estudo Termoquímico e Cinético da reação de Metilamina com Átomo de Nitrogênio
2023
Thermochemical and kinetics investigation of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si69.svg" display="inline" id="d1e2417"><mml:mrow><mml:mtext>CH2CN</mml:mtext></mml:mrow></mml:math> + <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si70.svg" display="inline" id="d1e2423"><mml:mtext>CN</mml:mtext></mml:math> system leading to <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si77.svg" display="inline" id="d1e2428"><mml:mrow><mml:mtext>NCCH2CN</mml:mtext></mml:mrow></mml:math>
Chemical Physics Letters·2023· 2 cited
Destruction of phosphorus nitride through the <b>N</b>(4<i>S</i>) + <b>PN</b>(1Σ+) → <b>N2</b>(1Σ+) + <b>P</b>(4<i>S</i>) reaction
Monthly Notices of the Royal Astronomical Society·2022· 3 cited
Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment
Journal of Molecular Modeling·2022
Spin-density calculation via the graphical unitary group approach
Molecular Physics·2022· 8 citedOpen Access
Evaluation of N‐binding through N1, N2 or N3 of 4‐R‐1,2,3‐Triazolate to [CuCO]<sup>+</sup> Complexes
ChemistrySelect·2022
The influence of the environment in chemical reactivity: the HCOOH formation from the H2O + CO reaction
Journal of Molecular Modeling·2021· 7 cited
Tunneling Enhancement of the Gas-Phase CH + CO<sub>2</sub> Reaction at Low Temperature
The Journal of Physical Chemistry A·2020· 5 citedOpen Access
Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions
Monthly Notices of the Royal Astronomical Society·2020· 5 cited
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
The Journal of Chemical Physics·2020· 76 citedOpen Access
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Frequent Co-authors

Francisco B. C. Machado(25), Orlando Roberto‐Neto(11), Luiz F. A. Ferrão(9), Hans Lischka(8), Rafael M. Vichietti(8), Roberto L. A. Haiduke(8), Ron Shepard(5), Felix Plasser(5), Daniely V. V. Cardoso(5), Albérico B. F. da Silva(5), Isabela S. Vieira(5), Adélia J. A. Aquino(4), Lachlan T. Belcher(4), Silmar A. do Monte(4), Reed Nieman(3), Rodolpho L. R. Alves(3), Maurício P. Franco(3), Paulo Freire(3), Péter G. Szalay(2), Russell M. Pitzer(2)