Andrés J - Search Results

1

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: andres j. J Phys Chem A. 2005 May 12;109(18):4178-84. doi: 10.1021/jp044701k. J Phys Chem A. 2005. PMID: 16833743

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. J Org Chem. 1996 Nov 1;61(22):7777-7783. doi: 10.1021/jo960803y. J Org Chem. 1996. PMID: 11667733

3

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: andres j. J Org Chem. 2003 Jul 25;68(15):5870-4. doi: 10.1021/jo034261d. J Org Chem. 2003. PMID: 12868919

4

A theoretical study on the reaction mechanism for the bergman cyclization from the perspective of the electron localization function and catastrophe theory.

Santos JC, Andres J, Aizman A, Fuentealba P, Polo V. Santos JC, et al. Among authors: andres j. J Phys Chem A. 2005 Apr 28;109(16):3687-93. doi: 10.1021/jp0441947. J Phys Chem A. 2005. PMID: 16839035

5

Nucleophilicity index from perturbed electrostatic potentials.

Cedillo A, Contreras R, Galván M, Aizman A, Andrés J, Safont VS. Cedillo A, et al. Among authors: andres j. 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

6

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: andres j. 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

7

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. Among authors: andres j. Phys Chem Chem Phys. 2015 Dec 28;17(48):32358-74. doi: 10.1039/c5cp05518k. Phys Chem Chem Phys. 2015. PMID: 26584857

8

On the outside looking in: rethinking the molecular mechanism of 1,3-dipolar cycloadditions from the perspective of bonding evolution theory. The reaction between cyclic nitrones and ethyl acrylate.

Adjieufack AI, Ndassa IM, Patouossa I, Mbadcam JK, Safont VS, Oliva M, Andrés J. Adjieufack AI, et al. Among authors: andres j. Phys Chem Chem Phys. 2017 Jul 19;19(28):18288-18302. doi: 10.1039/c7cp01016h. Phys Chem Chem Phys. 2017. PMID: 28561101

9

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. Phys Chem Chem Phys. 2017 Nov 8;19(43):29031-29046. doi: 10.1039/c7cp06108k. Phys Chem Chem Phys. 2017. PMID: 29077108

10

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: andres j. Phys Chem Chem Phys. 2017 Dec 20;20(1):535-541. doi: 10.1039/c7cp07557j. Phys Chem Chem Phys. 2017. PMID: 29220047

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