Domingo LR - Search Results

1

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: domingo lr. J Org Chem. 2006 Jan 20;71(2):754-62. doi: 10.1021/jo052117h. J Org Chem. 2006. PMID: 16408990

2

A theoretical study of the reaction between cyclopentadiene and protonated imine derivatives: a shift from a concerted to a stepwise molecular mechanism.

Domingo LR, Oliva M, Andrés J. Domingo LR, et al. J Org Chem. 2001 Sep 7;66(18):6151-7. doi: 10.1021/jo0015422. J Org Chem. 2001. PMID: 11529744

3

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

4

Theoretical Study on the Molecular Mechanism of the Domino Cycloadditions between Dimethyl Acetylenedicarboxylate and Naphthaleno- and Anthracenofuranophane.

Domingo LR, Picher MT, Andrés J, Oliva M. Domingo LR, et al. J Org Chem. 1999 Apr 30;64(9):3026-3033. doi: 10.1021/jo981442k. J Org Chem. 1999. PMID: 11674398

5

Enhancing reactivity of carbonyl compounds via hydrogen-bond formation. A DFT study of the hetero-Diels-Alder reaction between butadiene derivative and acetone in chloroform.

Domingo LR, Andrés J. Domingo LR, et al. J Org Chem. 2003 Oct 31;68(22):8662-8. doi: 10.1021/jo030156s. J Org Chem. 2003. PMID: 14575500

6

Understanding the nature of the molecular mechanisms associated with the competitive Lewis acid catalyzed [4+2] and [4+3] cycloadditions between arylidenoxazolone systems and cyclopentadiene: a DFT analysis.

Arnó M, Picher MT, Domingo LR, Andrés J. Arnó M, et al. Among authors: domingo lr. Chemistry. 2004 Oct 4;10(19):4742-9. doi: 10.1002/chem.200400277. Chemistry. 2004. PMID: 15372655

7

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: domingo lr. J Phys Chem A. 2005 Nov 17;109(45):10438-44. doi: 10.1021/jp054048g. J Phys Chem A. 2005. PMID: 16833341

8

New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.

Berski S, Andrés J, Silvi B, Domingo LR. Berski S, et al. Among authors: domingo lr. J Phys Chem A. 2006 Dec 28;110(51):13939-47. doi: 10.1021/jp068071t. J Phys Chem A. 2006. PMID: 17181354

9

Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.

Polo V, Andres J, Berski S, Domingo LR, Silvi B. Polo V, et al. Among authors: domingo lr. J Phys Chem A. 2008 Aug 7;112(31):7128-36. doi: 10.1021/jp801429m. Epub 2008 Jun 17. J Phys Chem A. 2008. PMID: 18557601

10

Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory.

Andrés J, Berski S, Domingo LR, González-Navarrete P. Andrés J, et al. Among authors: domingo lr. J Comput Chem. 2012 Mar 15;33(7):748-56. doi: 10.1002/jcc.22898. Epub 2011 Dec 20. J Comput Chem. 2012. PMID: 22183786

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