Follow
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
301998
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
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
122005
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, 63-80, 2014
92014
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
62020
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), 1-16, 2020
52020
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
32021
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
32021
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, eds Paz JL, Hernandez AJ (Trivandrum …, 2009
12009
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
Diffusion and reptation quantum Monte Carlo study of the NaK molecule
ME Segovia, ON Ventura
Molecular Physics 117 (6), 813-822, 2019
2019
A Quantum Monte Carlo Study of the OH bond strength in CF3O
M Segovia, O Ventura
The system can't perform the operation now. Try again later.
Articles 1–12