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Rene Felipe Keidel Spada
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COLUMBUS, an ab initio electronic structure program, release 7.0
H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ...
Vienna, AT, 2017
482017
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ...
The journal of chemical physics 152 (13), 2020
432020
Accurate rovibrational energies of ozone isotopologues up to J= 10 utilizing artificial neural networks
C Petty, RFK Spada, FBC Machado, B Poirier
The Journal of Chemical Physics 149 (2), 2018
192018
O (3P)+ CH3SH reactions: Structures, energetics, and kinetics
DVV Cardoso, LF de Araújo Ferrão, RFK Spada, O Roberto‐Neto, ...
International Journal of Quantum Chemistry 112 (19), 3269-3275, 2012
182012
Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted …
AD Powell, NS Dattani, RFK Spada, FBC Machado, H Lischka, R Dawes
The Journal of Chemical Physics 147 (9), 2017
142017
THE H2+ CO H2CO REACTION: RATE CONSTANTS AND RELEVANCE TO HOT AND DENSE ASTROPHYSICAL MEDIA
RM Vichietti, RFK Spada, ABF da Silva, FBC Machado, RLA Haiduke
The Astrophysical Journal Supplement Series 225 (1), 2, 2016
132016
Thermochemistry and kinetics of the trans-N2H2+ N reaction
RFK Spada, LFA Ferrão, DVV Cardoso, O Roberto-Neto, FBC Machado
Chemical Physics Letters 557, 37-42, 2013
132013
Hydrogen abstraction from the hydrazine molecule by an oxygen atom
RFK Spada, LFA Ferrao, RJ Rocha, K Iha, JAFF Rocco, O Roberto-Neto, ...
The Journal of Physical Chemistry A 119 (9), 1628-1635, 2015
112015
Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO ↔ HCOOH Reactions
RM Vichietti, RFK Spada, ABF Silva, FBC Machado, RLA Haiduke
ChemistrySelect 2 (24), 7267-7272, 2017
102017
Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies
DVV Cardoso, LA Cunha, RFK Spada, CA Petty, LFA Ferrao, ...
The Journal of Physical Chemistry A 121 (2), 419-428, 2017
102017
Thermochemical and kinetics of hydrazine dehydrogenation by an oxygen atom in hydrazine-rich systems: A dimer model
RFK Spada, LFA Ferrao, O Roberto-Neto, H Lischka, FBC Machado
The Journal of Physical Chemistry A 119 (51), 12607-12614, 2015
72015
Dehydrogenation of N2HX (X= 2− 4) by nitrogen atoms: Thermochemical and kinetics
RFK Spada, LF de Araujo Ferrão, O Roberto-Neto, FBC Machado
The Journal of Chemical Physics 139 (19), 2013
72013
COLUMBUS, an ab initio electronic structure program, release 7.0, 2015
H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ...
Google Scholar There is no corresponding record for this reference, 0
7
Implications of the (H2O)n + CO ↔ trans-HCOOH + (H2O)n–1 (n = 1, 2, and 3) reactions for primordial atmospheres of Venus and Earth
RM Vichietti, RFK Spada, ABF da Silva, FBC Machado, RLA Haiduke
Monthly Notices of the Royal Astronomical Society 475 (3), 3191-3200, 2018
62018
Thermochemistry and kinetics of the trans-N2H2+ N reaction (vol 557, pg 37, 2013)
RFK Spada, LFA Ferrao, DVV Cardoso, O Roberto-Neto, FBC Machado
Chemical Physics Letters 582, 167-168, 2013
6*2013
Mon. Not. R. Astron. Soc
ACR Gomes, RFK Spada, B Lefloch, BRL Galvão
52022
The influence of the environment in chemical reactivity: the HCOOH formation from the H2O + CO reaction
E Alves, MP Franco, S Pilling, FBC Machado, RFK Spada
Journal of Molecular Modeling 27, 1-6, 2021
52021
A Proposal for the Mechanism of the CH + CO2 Reaction
RM Vichietti, RFK Spada, ABF da Silva, FBC Machado, RLA Haiduke
ACS omega 4 (18), 17843-17849, 2019
52019
Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the 3CH2 + 3O2 Singlet and Triplet Potential Energy Surfaces
S Lakshmanan, RFK Spada, FBC Machado, WL Hase
The Journal of Physical Chemistry A 123 (41), 8968-8975, 2019
52019
Could HCN be responsible for the Formamide synthesis in Earth’s primitive atmosphere?
RM Vichietti, RFK Spada, ABF da Silva, FBC Machado, RLA Haiduke
The Astrophysical Journal Supplement Series 245 (1), 11, 2019
42019
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