| 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 | 39 | 2021 |
| 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 | 28 | 2020 |
| 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 | 19 | 2022 |
| 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 | 18 | 2020 |
| 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 | 17 | 2012 |
| 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 | 15 | 2020 |
| 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 | 12 | 2021 |
| 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 | 10 | 2020 |
| 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 | 10 | 2020 |
| 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 | 10 | 2010 |
| 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 | 9 | 2007 |
| 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 | 8 | 2009 |
| Dipolar 1,3‐cycloaddition of thioformaldehyde S‐methylide (CH2SCH2) to ethylene and acetylene. A comparison with (valence) isoelectronic O3, SO2, CH2OO and CH … Z Salta, M Vega‐Teijido, A Katz, N Tasinato, V Barone, ON Ventura Journal of Computational Chemistry 43 (21), 1420-1433, 2022 | 7 | 2022 |
| 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 | 7 | 2020 |
| 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 | 7 | 2019 |
| Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free JunChS-F12 Model Chemistry V Barone, J Lupi, Z Salta, N Tasinato Journal of Chemical Theory and Computation 19 (12), 3526-3537, 2023 | 6 | 2023 |
| 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 | 5 | 2022 |
| 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 | 4 | 2019 |
| Computational characterization of the herbicide metolachlor and its mono-hydroxylated photodegradation products Z Salta, AM Kosmas, ON Ventura Theoretical Chemistry Accounts 137, 1-12, 2018 | 4 | 2018 |
| In Vitro and In Silico Vibrational–Rotational Spectroscopic Characterization of the Next-Generation Refrigerant HFO-1123 N Tasinato, A Pietropolli Charmet, G Ceselin, Z Salta, P Stoppa The Journal of Physical Chemistry A 126 (32), 5328-5342, 2022 | 3 | 2022 |
