Andrés J - Search Results

1

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

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

Molecular structure of the molybdenum oxo-diperoxo compound MoO(O(2))(2)(OPy)(H(2)O): a computational and X-ray study.

Sensato FR, Cass QB, Longo E, Zukerman-Schpector J, Custodio R, Andrés J, Hernandes MZ, Longo RL. Sensato FR, et al. Among authors: andres j. Inorg Chem. 2001 Nov 5;40(23):6022-5. doi: 10.1021/ic010020h. Inorg Chem. 2001. PMID: 11681920

4

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

5

Understanding the molecular mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of the electron localization function and catastrophe theory.

Polo V, Andres J, Castillo R, Berski S, Silvi B. Polo V, et al. Among authors: andres j. Chemistry. 2004 Oct 11;10(20):5165-72. doi: 10.1002/chem.200400161. Chemistry. 2004. PMID: 15372667

6

A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1,5-hexadiene and its cyano derivatives.

Polo V, Andrés J. Polo V, et al. Among authors: andres j. J Comput Chem. 2005 Nov 15;26(14):1427-37. doi: 10.1002/jcc.20272. J Comput Chem. 2005. PMID: 16082660

7

Better understanding of the ring-cleavage process of cyanocyclopropyl anionic derivatives. A theoretical study based on the electron localization function.

Polo V, Domingo LR, Andrés J. Polo V, et al. Among authors: andres j. J Org Chem. 2006 Jan 20;71(2):754-62. doi: 10.1021/jo052117h. J Org Chem. 2006. PMID: 16408990

8

Toward an understanding of the catalytic role of hydrogen-bond donor solvents in the hetero-Diels-Alder reaction between acetone and butadiene derivative.

Polo V, Domingo LR, Andrés J. Polo V, et al. Among authors: andres j. J Phys Chem A. 2005 Nov 17;109(45):10438-44. doi: 10.1021/jp054048g. J Phys Chem A. 2005. PMID: 16833341

This work extends a previous study (Domingo, L. R.; Andres, J. J. Org. Chem. 2003, 68, 8662) in which the importance of weak HB-donor solvents to catalyze more effectively than solvents with a higher dielectric constant but no HB-donor capability was analyzed …

This work extends a previous study (Domingo, L. R.; Andres, J. J. Org. Chem. 2003, 68, 8662) in which the importance of …

9

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

10

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

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