Sfoglia per Autore SALTA, ZOI
Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical
2019 Ventura, O. N.; Kieninger, M.; Salta, Z.; Kosmas, A. M.; Barone, V.
Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The "hidden" Routes to Cresols and Benzaldehyde
2020 Salta, Z.; Kosmas, A. M.; Segovia, M. E.; Kieninger, M.; Tasinato, N.; Barone, V.; Ventura, O. N.
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 Alternative Pathway to Dimethyl Sulfoxide
2020 Salta, Z.; Lupi, J.; Barone, V.; Ventura, O. N.
Kinetics and thermodynamics of the hydroxylation products in the photodegradation of the herbicide Metolachlor
2020 Salta, Zoi; Kosmas, Agnie M.; Ventura, Oscar N.
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations
2020 Salta, Zoi; Lupi, Jacopo; Tasinato, Nicola; Barone, Vincenzo; Ventura, Oscar N.
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations
2020 Salta, Zoi; Tasinato, Nicola; Lupi, Jacopo; Boussessi, Rahma; Balbi, Alice; Puzzarini, Cristina; Barone, Vincenzo
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 between OH-addition and H-abstraction reactions
2020 Salta, Zoi; Kosmas, Agnie M.; Segovia, Marc E.; Kieninger, Martina; Ventura, Oscar N.; Barone, Vincenzo
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
2020 Puzzarini, C.; Salta, Z.; Tasinato, N.; Lupi, J.; Cavallotti, C.; Barone, V.
Isomerization and Fragmentation Reactions on the [C2SH4] Potential Energy Surface: The Metastable Thione S-Methylide Isomer
2021 Salta, Z.; Segovia, M. E.; Katz, A.; Tasinato, N.; Barone, V.; Ventura, O. N.
Development and Validation of a Parameter-Free Model Chemistry for the Computation of Reliable Reaction Rates
2021 Barone, V.; Lupi, J.; Salta, Z.; Tasinato, N.
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection
2022 Ceselin, Giorgia; Salta, Zoi; Bloino, Julien; Tasinato, Nicola; Barone, Vincenzo
In vitro and in silico vibrational-rotational spectroscopic characterization of the next-generation refrigerant HFO-1123
2022 Tasinato, Nicola; Pietropolli Charmet, Andrea; Ceselin, Giorgia; Salta, Zoi; Stoppa, Paolo
Correcting the experimental enthalpies of formation of some members of the biologically significant sulfenic acids family
2022 Ventura, Oscar N; Segovia, Marc; Vega-Teijido, Mauricio; Katz, Aline; Kieninger, Martina; Tasinato, Nicola; Salta, Zoi
Dipolar 1,3-cycloaddition of thioformaldehyde S-methylide (CH2 SCH2 ) to ethylene and acetylene : a comparison with (valence) isoelectronic O3 , SO2 , CH2 OO and CH2 SO
2022 Salta, Zoi; Vega-Teijido, Mauricio; Katz, Aline; Tasinato, Nicola; Barone, Vincenzo; Ventura, Oscar N
Enthalpy of formation of carbocycles : a precise theoretical determination of experimentally imprecise measurements
2023 Salta, Zoi; Tasinato, Nicola; Liebman, Joel F.; Ventura, Oscar N.
Thermochemistry and Kinetics of the OH- and Cl-Initiated Degradation Pathways of the HCFC-132b Atmospheric Pollutant
2023 Tasinato, Nicola; Rais, Nadljib; Salta, Zoi
Reliable gas phase reaction rates at affordable cost by means of the parameter-free junChS-F12 model chemistry
2023 Barone, Vincenzo; Lupi, Jacopo; Salta, Zoi; Tasinato, Nicola
Paradigms and paradoxes : systematics in the study of the simplest sulfenic acids and sulfoxides, and a comparison between sulfur–oxygen and nitrogen–oxygen bonds
2023 Salta, Zoi; Tasinato, Nicola; Ventura, Oscar Néstor; Liebman, Joel Fredric
Mechanistic Insights into the Silica-Mediated Synthesis of Glyceraldehyde from Glycolaldehyde and Hydroxymethylene
2025 Rinaldi, Gianluca; Salta, Zoi; Tasinato, Nicola
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