Publicacións nas que colabora con LUIS RAMON DOMINGO ASENSI (40)

2015

  1. Diels-Alderase Catalyzing the Cyclization Step in the Biosynthesis of Spinosyn A: Reality or Fantasy?

    Emerging Trends in Computational Biology, Bioinformatics, and Systems Biology: Algorithms and Software Tools (Elsevier Inc.), pp. 169-201

  2. Understanding the domino reaction between 3-chloroindoles and methyl coumalate yielding carbazoles. A DFT study

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 7, pp. 2034-2043

  3. Unravelling the mechanism of the ketene-imine Staudinger reaction. An ELF quantum topological analysis

    RSC Advances, Vol. 5, Núm. 47, pp. 37119-37129

2014

  1. A DFT study on the NHC catalysed Michael addition of enols to α,β-unsaturated acyl-azoliums. A base catalysed C-C bond-formation step

    Organic and Biomolecular Chemistry, Vol. 12, Núm. 6, pp. 895-904

  2. Understanding the mechanism of the Povarov reaction. A DFT study

    RSC Advances, Vol. 4, Núm. 48, pp. 25268-25278

  3. Understanding the selectivity in the formation of δ-lactams vs. β-lactams in the Staudinger reactions of chloro-cyan-ketene with unsaturated imines. A DFT study

    RSC Advances, Vol. 4, Núm. 102, pp. 58559-58566

2013

  1. A DFT study of the [3 + 2] versus [4 + 2] cycloaddition reactions of 1,5,6-trimethylpyrazinium-3-olate with methyl methacrylate

    Journal of Organic Chemistry, Vol. 78, Núm. 4, pp. 1621-1629

  2. Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system

    Organic and Biomolecular Chemistry, Vol. 11, Núm. 48, pp. 8357-8365

  3. Understanding C-C bond formation in polar reactions. An ELF analysis of the Friedel-Crafts reaction between indoles and nitroolefins

    RSC Advances, Vol. 3, Núm. 20, pp. 7520-7528

  4. Understanding the formation of [3+2] and [2+4] cycloadducts in the Lewis acid catalysed reaction between methyl glyoxylate oxime and cyclopentadiene: A theoretical study

    RSC Advances, Vol. 3, Núm. 2, pp. 447-457

  5. Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

    RSC Advances, Vol. 3, Núm. 5, pp. 1486-1494

  6. Understanding the regioselectivity in hetero Diels-Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

    Tetrahedron, Vol. 69, Núm. 1, pp. 107-114

2012

  1. An ELF analysis of the C-C bond formation step in the N-heterocyclic carbene-catalyzed hydroacylation of unactivated C-C double bonds

    RSC Advances, Vol. 2, Núm. 18, pp. 7127-7134

  2. Azo-hydrazo conversion via [1,5]-hydrogen shifts. A combined experimental and theoretical study

    Tetrahedron, Vol. 68, Núm. 34, pp. 6902-6907

  3. Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes

    Organic and Biomolecular Chemistry, Vol. 10, Núm. 42, pp. 8434-8444

  4. Origin of the synchronicity in bond formation in polar Diels-Alder reactions: An ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene

    Organic and Biomolecular Chemistry, Vol. 10, Núm. 19, pp. 3841-3851

  5. Oxetane ring enlargement through nucleophilic trapping of radical cations by acetonitrile

    Organic Letters, Vol. 14, Núm. 22, pp. 5700-5703

  6. Ring splitting of azetidin-2-ones via radical anions

    Organic and Biomolecular Chemistry, Vol. 10, Núm. 39, pp. 7928-7932

  7. Understanding the bond formation in hetero-diels-alder reactions. An ELF analysis of the reaction of nitroethylene with dimethylvinylamine

    Current Organic Chemistry, Vol. 16, Núm. 19, pp. 2343-2351

  8. Understanding the mechanism of the intramolecular stetter reaction. A DFT study

    Molecules, Vol. 17, Núm. 2, pp. 1335-1353