Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies
Cardoso, Daniely V. V, Cunha, Leonardo A, Spada, Rene F. K, Petty, Corey A, Ferrão, Luiz F. A, Roberto-Neto, Orlando, Machado, Francisco B. C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2017)
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Journal Article
The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory
Pinheiro, Max, Cardoso, Daniely V. V., Aquino, Adélia J. A., Machado, Francisco B. C., Lischka, Hans
Published in Molecular physics (18.06.2019)
Published in Molecular physics (18.06.2019)
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Journal Article
Thermochemical and Kinetics of CH 3 SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies
Cardoso, Daniely V V, Cunha, Leonardo A, Spada, Rene F K, Petty, Corey A, Ferrão, Luiz F A, Roberto-Neto, Orlando, Machado, Francisco B C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.01.2017)
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Journal Article
Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactions
Cardoso, Daniely V. V., Cunha, Leonardo A., Spada, Rene F. K., Ferrão, Luiz F. A., Roberto-Neto, Orlando, Machado, Francisco B. C.
Published in Journal of molecular modeling (01.09.2014)
Published in Journal of molecular modeling (01.09.2014)
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Thermochemistry and kinetics of the trans-N2H2+N reaction
Spada, Rene F.K., Ferrão, Luiz F.A., Cardoso, Daniely V.V., Roberto-Neto, Orlando, Machado, Francisco B.C.
Published in Chemical physics letters (05.02.2013)
Published in Chemical physics letters (05.02.2013)
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