Publikationen in Zusammenarbeit mit Forschern von University of Johannesburg (7)

2022

  1. Unveiling the non-polar [3+2] cycloaddition reactions of cyclic nitrones with strained alkylidene cyclopropanes within a molecular electron density theory study

    RSC Advances, Vol. 12, Núm. 39, pp. 25354-25363

2021

  1. Theoretical Studies on the Mechanism of the Formation of Cyclopentadienes and Dihydropyridazines

    ChemistrySelect, Vol. 6, Núm. 37, pp. 9806-9813

2020

  1. A molecular electron density theory study of the [3 + 2] cycloaddition reaction of 1,4-diphosphorinium-3-olates with methyl acrylate and methyl methacrylate

    Theoretical Chemistry Accounts, Vol. 139, Núm. 7

  2. Unveiling the high reactivity of benzyne in the formal [3+2] cycloaddition reactions towards thioamides through the Molecular Electron Density Theory

    Tetrahedron, Vol. 76, Núm. 39

2018

  1. DFT exploration of [3 + 2] cycloaddition reaction of 1: H -phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate

    RSC Advances, Vol. 8, Núm. 48, pp. 27406-27416

2017

  1. Copper(I)-catalysed regioselective synthesis of pyrazolo[5,1-c]-1,2,4-triazoles: A DFT mechanistic study

    Tetrahedron, Vol. 73, Núm. 31, pp. 4653-4662

  2. Understanding the Intramolecular Diels-Alder Reactions of N-Substituted N-Allyl-Furfurylamines: An MEDT Study

    ChemistrySelect, Vol. 2, Núm. 30, pp. 9736-9743