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Marc Segovia
Marc Segovia
Facultad de Quimica, Universidad de la Republica, Montevideo, Uruguay
Verified email at fq.edu.uy
Title
Cited by
Cited by
Year
A discrepancy between experimental and theoretical thermochemical characterization of some oxygen fluorides
M Kieninger, M Segovia, ON Ventura
Chemical physics letters 287 (5-6), 597-600, 1998
331998
SVECV‐f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers
ON Ventura, M Kieninger, A Katz, M Vega‐Teijido, M Segovia, K Irving
International Journal of Quantum Chemistry 121 (18), e26745, 2021
192021
Density functional and G2 study of the strength of the OH bond in CF3OH
M Segovia, ON Ventura
Chemical physics letters 277 (5-6), 490-496, 1997
171997
Reinvestigation of the deceptively simple reaction of toluene with OH and the fate of the benzyl radical: the “hidden” routes to cresols and benzaldehyde
Z Salta, AM Kosmas, ME Segovia, M Kieninger, N Tasinato, V Barone, ...
The Journal of Physical Chemistry A 124 (28), 5917-5930, 2020
152020
Density functional computational thermochemistry: Accurate determination of the enthalpy of formation of perfluoropropane from DFT and ab initio calculations on isodesmic reactions
ON Ventura, M Segovia
Chemical physics letters 403 (4-6), 378-384, 2005
152005
Isomerization and Fragmentation Reactions on the [C2SH4] Potential Energy Surface: The Metastable Thione S-Methylide Isomer
Z Salta, ME Segovia, A Katz, N Tasinato, V Barone, ON Ventura
The Journal of Organic Chemistry 86 (3), 2941-2956, 2021
122021
Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and β-scission of the propyl radical
ME Segovia, K Irving, ON Ventura
Marco Antonio Chaer Nascimento: A Festschrift from Theoretical Chemistry …, 2014
92014
A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical: a combined thermodynamic and kinetic study on the competition …
Z Salta, AM Kosmas, ME Segovia, M Kieninger, ON Ventura, V Barone
Theoretical Chemistry Accounts 139 (7), 112, 2020
72020
Correcting the experimental enthalpies of formation of some members of the biologically significant sulfenic acids family
ON Ventura, M Segovia, M Vega-Teijido, A Katz, M Kieninger, N Tasinato, ...
The Journal of Physical Chemistry A 126 (36), 6091-6109, 2022
52022
Computational chemistry tools for the study of environmental chemistry problems
ON Ventura, ME Segovia, MP Badenes, M Kieninger, F Bottinelli, K Irving
New Developments in Quantum Chemistry, 109-164, 2009
22009
Diffusion and reptation quantum Monte Carlo study of the NaK molecule
ME Segovia, ON Ventura
Molecular Physics 117 (6), 813-822, 2019
12019
Accuracy of enthalpies of formation of hydrocarbons using the SVECV-f12 protocol and comparison to other composite methods
M Vega-Teijido, ME Segovia, M Kieninger, ON Ventura
The Journal of Chemical Thermodynamics 189, 107197, 2024
2024
Isomerization and Fragmentation Reactions on the [C₂SH₄] Potential Energy Surface: The Metastable Thione S-Methylide Isomer
Z Salta, ME Segovia, A Katz, N Tasinato, V Barone, ON Ventura
2021
A Quantum Monte Carlo Study of the OH bond strength in CF3O
M Segovia, O Ventura
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