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Zoi Salta
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A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study
C Puzzarini, Z Salta, N Tasinato, J Lupi, C Cavallotti, V Barone
Monthly Notices of the Royal Astronomical Society 496 (4), 4298-4310, 2020
172020
Computational investigation of the peroxy radicals CH3S (O) nOO and the peroxynitrates CH3S (O) nOONO2 (n= 0, 1, 2)
Z Salta, AM Kosmas, A Lesar
Computational and Theoretical Chemistry 1001, 67-76, 2012
142012
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations
Z Salta, N Tasinato, J Lupi, R Boussessi, A Balbi, C Puzzarini, V Barone
ACS Earth and Space Chemistry 4 (5), 774-782, 2020
102020
Development and validation of a parameter-free model chemistry for the computation of reliable reaction rates
V Barone, J Lupi, Z Salta, N Tasinato
Journal of Chemical Theory and Computation 17 (8), 4913-4928, 2021
92021
Structural and heat of formation studies of halogenated methyl hydro-peroxides
AM Kosmas, C Mpellos, Z Salta, E Drougas
Chemical Physics 371 (1-3), 36-42, 2010
92010
Theoretical characterization of halogenated methylperoxy nitrites CXnY3− nOONO (X, Y= H, F, Cl)
A Lesar, Z Salta, S Kovačič, AM Kosmas
Chemical Physics Letters 446 (4-6), 268-275, 2007
92007
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations
Z Salta, J Lupi, N Tasinato, V Barone, ON Ventura
Chemical Physics Letters 739, 136963, 2020
82020
Effect of Halogenation on the Mechanism of the Atmospheric Reactions between Methylperoxy Radicals and NO. A computational Study
AM Kosmas, Z Salta, A Lesar
The Journal of Physical Chemistry A 113 (15), 3545-3554, 2009
82009
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
72020
H-Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveils an …
Z Salta, J Lupi, V Barone, ON Ventura
ACS Earth and Space Chemistry 4 (3), 403-419, 2020
72020
Theoretical study of the microhydration of 1‐chloro and 2‐chloro ethanol as a clue for their relative propensity toward dehalogenation
G Petsis, Z Salta, AM Kosmas, ON Ventura
International Journal of Quantum Chemistry 119 (17), e25931, 2019
62019
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
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 Evidence Suggests That 1-Chloroethanol May Be an Intermediate in the Thermal Decomposition of 2-Chloroethanol into Acetaldehyde and HCl
Z Salta, AM Kosmas, ON Ventura, V Barone
The Journal of Physical Chemistry A 123 (10), 1983-1998, 2019
32019
Computational characterization of the herbicide metolachlor and its mono-hydroxylated photodegradation products
Z Salta, AM Kosmas, ON Ventura
Theoretical Chemistry Accounts 137 (11), 1-12, 2018
32018
Computational study of the reaction of the methylsulfonyl radical, CH3S(O)2, with NO2
Z Salta, AM Kosmas
International Journal of Quantum Chemistry 114 (21), 1430-1437, 2014
32014
Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the …
ON Ventura, M Kieninger, Z Salta, AM Kosmas, V Barone
Theoretical Chemistry Accounts 138 (10), 1-14, 2019
22019
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection
G Ceselin, Z Salta, J Bloino, N Tasinato, V Barone
The Journal of Physical Chemistry A 126 (15), 2373-2387, 2022
12022
Computational studies on the reactions of the peroxy radical CF3OCH2O2 with HO2 and NO
Z Salta, S Liaska, DK Papayannis, A Lesar, AM Kosmas
Computational and Theoretical Chemistry 1163, 112510, 2019
12019
Computational investigation of the formation and isomerization pathways of CH3SNO2 and the S–N bond dissociation energies of CH3S (O) n NO2 (n= 0, 1, 2) species
Z Salta, AM Kosmas
Structural Chemistry 27 (4), 1149-1156, 2016
12016
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