Argitalpenak (388) LUIS RAMON DOMINGO ASENSI argitalpenak

2024

  1. A molecular electron density theory study of hydrogen bond catalysed polar Diels–Alder reactions of α,β-unsaturated carbonyl compounds

    Tetrahedron Chem, Vol. 10

  2. A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds

    Organic and Biomolecular Chemistry, Vol. 22, Núm. 36, pp. 7425-7437

  3. Activation of p53 signaling and regression of breast and prostate carcinoma cells by spirooxindole-benzimidazole small molecules

    Frontiers in Pharmacology, Vol. 15

  4. An MEDT Study of the Reaction Mechanism and Selectivity of the Hetero-Diels–Alder Reaction Between 3-Methylene-2,4-Chromandione and Methyl Vinyl Ether

    Molecules, Vol. 29, Núm. 21

  5. MEDT analysis of mechanism and selectivities in non-catalyzed and lewis acid-catalyzed diels–alder reactions between R-carvone and isoprene

    Scientific Reports, Vol. 14, Núm. 1

  6. Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory

    Molecules, Vol. 29, Núm. 8

  7. Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective

    Journal of Physical Organic Chemistry, Vol. 37, Núm. 1

  8. Synthesis, Molecular Electron Density Theory Study, Molecular Docking, and Pharmacological Evaluation of New Coumarin–Sulfonamide–Nitroindazolyl–Triazole Hybrids as Monoamine Oxidase Inhibitors

    International Journal of Molecular Sciences, Vol. 25, Núm. 12

  9. Understanding the Electronic Effects of Lewis Acid Catalysts in Accelerating Polar Diels-Alder Reactions

    Journal of Organic Chemistry

  10. Unveiling [3 + 2] cycloaddition reactions of diphenyl diazomethane to thiobenzophenone and cycloaliphatic thioketones in the light of molecular electron density theory

    Computational and Theoretical Chemistry, Vol. 1237

2023

  1. A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate

    Chemistry of Heterocyclic Compounds, Vol. 59, Núm. 3, pp. 165-170

  2. A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds

    Molecules, Vol. 28, Núm. 17

  3. A Molecular Electron Density Theory Study of the Polar Diels-Alder Reaction of Naphtoquinone:Cr(CO)3 Complex with Cyclic Dienes

    Polycyclic Aromatic Compounds, Vol. 43, Núm. 9, pp. 8065-8081

  4. A combined BET and IQA-REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 15, pp. 10853-10865

  5. A novel alpha-amylase inhibitor-based spirooxindole-pyrrolidine-clubbed thiochromene-pyrzaole pharmacophores: Unveiling the [3+2] cycloaddition reaction by molecular electron density theory

    Chemical Biology and Drug Design, Vol. 102, Núm. 5, pp. 972-995

  6. Electrophilicity and nucleophilicity scales at different DFT computational levels

    Journal of Physical Organic Chemistry, Vol. 36, Núm. 7

  7. New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights

    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 38, Núm. 1

  8. Study of N-methyl-5-nitroindazolylacrylonitriles as a Function of Quantum Parameters Employing Density Function Theory Methods: Comparative Theoretical Study and Nonlinear Optical Properties

    ChemistrySelect, Vol. 8, Núm. 14

  9. Synthesis and anti-Cancer Activity of a New Hybrid Based Spirooxindole-Pyrrolidine -Thiochromene Scaffolds via [3 + 2] Cycloaddition Reaction: Computational Investigation

    Polycyclic Aromatic Compounds, Vol. 43, Núm. 3, pp. 2302-2320

  10. Synthesis, In Vitro and in Cell Study of a New Spirooxindoles-Based N-Alkylated Maleimides Targeting HER2/3 Signaling Pathway

    Polycyclic Aromatic Compounds, Vol. 43, Núm. 6, pp. 5251-5275