Safont VS - Search Results

1

Sulfide and sulfoxide oxidations by mono- and diperoxo complexes of molybdenum. A density functional study.

Sensato FR, Custodio R, Longo E, Safont VS, Andres J. Sensato FR, et al. Among authors: safont vs. J Org Chem. 2003 Jul 25;68(15):5870-4. doi: 10.1021/jo034261d. J Org Chem. 2003. PMID: 12868919

2

On Transition Structures for Hydride Transfer Step in Enzyme Catalysis. A Comparative Study on Models of Glutathione Reductase Derived from Semiempirical, HF, and DFT Methods.

Andrés J, Moliner V, Safont VS, Domingo LR, Picher MT. Andrés J, et al. Among authors: safont vs. J Org Chem. 1996 Nov 1;61(22):7777-7783. doi: 10.1021/jo960803y. J Org Chem. 1996. PMID: 11667733

3

Exploring two-state reactivity pathways in the cycloaddition reactions of triplet methylene.

Pérez P, Andrés J, Safont VS, Contreras R, Tapia O. Pérez P, et al. Among authors: safont vs. J Phys Chem A. 2005 May 12;109(18):4178-84. doi: 10.1021/jp044701k. J Phys Chem A. 2005. PMID: 16833743

4

Nucleophilicity index from perturbed electrostatic potentials.

Cedillo A, Contreras R, Galván M, Aizman A, Andrés J, Safont VS. Cedillo A, et al. Among authors: safont vs. J Phys Chem A. 2007 Mar 29;111(12):2442-7. doi: 10.1021/jp068459o. Epub 2007 Mar 8. J Phys Chem A. 2007. PMID: 17388330

5

Olefin epoxidation by molybdenum peroxo compound: molecular mechanism characterized by the electron localization function and catastrophe theory.

Berski S, Sensato FR, Polo V, Andrés J, Safont VS. Berski S, et al. Among authors: safont vs. J Phys Chem A. 2011 Feb 3;115(4):514-22. doi: 10.1021/jp108440f. Epub 2010 Dec 29. J Phys Chem A. 2011. PMID: 21190350

6

Inquiry of the electron density transfers in chemical reactions: a complete reaction path for the denitrogenation process of 2,3-diazabicyclo[2.2.1]hept-2-ene derivatives.

Safont VS, González-Navarrete P, Oliva M, Andrés J. Safont VS, et al. Phys Chem Chem Phys. 2015 Dec 28;17(48):32358-74. doi: 10.1039/c5cp05518k. Phys Chem Chem Phys. 2015. PMID: 26584857

7

Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory.

Andrés J, González-Navarrete P, Safont VS, Silvi B. Andrés J, et al. Among authors: safont vs. Phys Chem Chem Phys. 2017 Nov 8;19(43):29031-29046. doi: 10.1039/c7cp06108k. Phys Chem Chem Phys. 2017. PMID: 29077108

8

A bonding evolution analysis for the thermal Claisen rearrangement: an experimental and theoretical exercise for testing the electron density flow.

González-Navarrete P, Andrés J, Safont VS. González-Navarrete P, et al. Among authors: safont vs. Phys Chem Chem Phys. 2017 Dec 20;20(1):535-541. doi: 10.1039/c7cp07557j. Phys Chem Chem Phys. 2017. PMID: 29220047

9

On the catalytic transfer hydrogenation of nitroarenes by a cubane-type Mo₃S₄ cluster hydride: disentangling the nature of the reaction mechanism.

Safont VS, Sorribes I, Andrés J, Llusar R, Oliva M, Ryzhikov MR. Safont VS, et al. Phys Chem Chem Phys. 2019 Aug 21;21(31):17221-17231. doi: 10.1039/c9cp02633a. Epub 2019 Jul 26. Phys Chem Chem Phys. 2019. PMID: 31346590

10

Deciphering the Curly Arrow Representation and Electron Flow for the 1,3-Dipolar Rearrangement between Acetonitrile Oxide and (1S,2R,4S)-2-Cyano-7-oxabicyclo[2.2.1]hept-5-en-2-yl Acetate Derivatives.

Adjieufack AI, Nana CN, Ketcha-Mbadcam J, Mbouombouo Ndassa I, Andrés J, Oliva M, Safont VS. Adjieufack AI, et al. Among authors: safont vs. ACS Omega. 2020 Aug 24;5(35):22215-22225. doi: 10.1021/acsomega.0c02371. eCollection 2020 Sep 8. ACS Omega. 2020. PMID: 32923779 Free PMC article.

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

27 results

Search Page

Filters