Ventura ON - Search Results

1

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.

Salta Z, Vega-Teijido M, Katz A, Tasinato N, Barone V, Ventura ON. Salta Z, et al. Among authors: ventura on. J Comput Chem. 2022 Aug 5;43(21):1420-1433. doi: 10.1002/jcc.26946. Epub 2022 Jun 6. J Comput Chem. 2022. PMID: 35662073

2

Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives.

Vega-Teijido MA, El Chamy Maluf S, Bonturi CR, Sambrano JR, Ventura ON. Vega-Teijido MA, et al. Among authors: ventura on. J Mol Model. 2014 Jun;20(6):2254. doi: 10.1007/s00894-014-2254-0. Epub 2014 Jun 1. J Mol Model. 2014. PMID: 24881000

3

Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations.

Saenz-Méndez P, Katz A, Pérez-Kempner ML, Ventura ON, Vázquez M. Saenz-Méndez P, et al. Among authors: ventura on. Proteins. 2017 Apr;85(4):720-730. doi: 10.1002/prot.25251. Epub 2017 Feb 9. Proteins. 2017. PMID: 28120429

4

Theoretical study of the reactions of the hydroselenyl radical (HSe^●) with the selenenic radical (HSeO^●).

Vega-Teijido MA, Kieninger M, Ventura ON. Vega-Teijido MA, et al. Among authors: ventura on. J Mol Model. 2017 Dec 5;24(1):3. doi: 10.1007/s00894-017-3535-1. J Mol Model. 2017. PMID: 29209850

5

Computational Evidence Suggests That 1-Chloroethanol May Be an Intermediate in the Thermal Decomposition of 2-Chloroethanol into Acetaldehyde and HCl.

Salta Z, Kosmas AM, Ventura ON, Barone V. Salta Z, et al. Among authors: ventura on. J Phys Chem A. 2019 Mar 14;123(10):1983-1998. doi: 10.1021/acs.jpca.8b11966. Epub 2019 Mar 6. J Phys Chem A. 2019. PMID: 30794424

6

Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The "Hidden" Routes to Cresols and Benzaldehyde.

Salta Z, Kosmas AM, Segovia ME, Kieninger M, Tasinato N, Barone V, Ventura ON. Salta Z, et al. Among authors: ventura on. J Phys Chem A. 2020 Jul 16;124(28):5917-5930. doi: 10.1021/acs.jpca.0c03727. Epub 2020 Jul 6. J Phys Chem A. 2020. PMID: 32543200 Free PMC article.

7

Isomerization and Fragmentation Reactions on the [C₂SH₄] Potential Energy Surface: The Metastable Thione S-Methylide Isomer.

Salta Z, Segovia ME, Katz A, Tasinato N, Barone V, Ventura ON. Salta Z, et al. Among authors: ventura on. J Org Chem. 2021 Feb 5;86(3):2941-2956. doi: 10.1021/acs.joc.0c02835. Epub 2021 Jan 27. J Org Chem. 2021. PMID: 33501826 Free PMC article.

8

Correcting the Experimental Enthalpies of Formation of Some Members of the Biologically Significant Sulfenic Acids Family.

Ventura ON, Segovia M, Vega-Teijido M, Katz A, Kieninger M, Tasinato N, Salta Z. Ventura ON, et al. J Phys Chem A. 2022 Sep 15;126(36):6091-6109. doi: 10.1021/acs.jpca.2c04235. Epub 2022 Aug 31. J Phys Chem A. 2022. PMID: 36044372

9

Atmospheric oxidation of furanones by ^•OH and ^•Cl radicals: In situ FTIR rate coefficient determinations, SAR and theoretical studies.

Baptista A, Gibilisco RG, Vega-Teijido M, Ventura ON, Teruel MA. Baptista A, et al. Among authors: ventura on. Chemosphere. 2023 Oct;338:139500. doi: 10.1016/j.chemosphere.2023.139500. Epub 2023 Jul 20. Chemosphere. 2023. PMID: 37480954

10

A new chapter in the never ending story of cycloadditions: The puzzling case of SO₂ and acetylene.

Salta Z, Ventura ON, Rais N, Tasinato N, Barone V. Salta Z, et al. Among authors: ventura on. J Comput Chem. 2024 Jul 5;45(18):1587-1602. doi: 10.1002/jcc.27350. Epub 2024 Mar 22. J Comput Chem. 2024. PMID: 38517313

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

25 results

Search Page

Filters