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  1. 1
    Computational study on molecular structure, vibrational and electronic properties of a novel Schiff base: Benzyl2-(4-(bis(2-chloroethyl)benzylidene) hydrazinecarbodithioate

    Computational study on molecular structure, vibrational and electronic properties of a novel Schiff base: Benzyl2-(4-(bis(2-chloroethyl)benzylidene) hydrazinecarbodithioate by Bhuvanendra Singh, Rajeev Singh, Bhoop Singh, Dilip Kumar

    Published 2017-11-01
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  2. 2
    The Mechanism of Boron–Carbon Bond Formation in the DA Reaction of the Pyridine Adduct of Borabenzene with Acetylene: A Topological Analysis of the ELF Function and Catastrophe Theory

    The Mechanism of Boron–Carbon Bond Formation in the DA Reaction of the Pyridine Adduct of Borabenzene with Acetylene: A Topological Analysis of the ELF Function and Catastrophe The... by Slawomir Berski

    Published 2025-05-01
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  3. 3
    Intramolecular Versus Intermolecular Diels–Alder Reactions: Insights from Molecular Electron Density Theory

    Intramolecular Versus Intermolecular Diels–Alder Reactions: Insights from Molecular Electron Density Theory by Luis R. Domingo, Patricia Pérez

    Published 2025-05-01
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  4. 4
    DFT analysis: correlation of epinephrine HOMO-LUMO, refractive index, optical electronegativity, and electrical conductivity with substituted halogens (F, Cl, Br)

    DFT analysis: correlation of epinephrine HOMO-LUMO, refractive index, optical electronegativity, and electrical conductivity with substituted halogens (F, Cl, Br) by Rebaz Obaid Kareem

    Published 2025-06-01
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  5. 5
    The potential corrosion inhibition properties of acetyl benzoic acid derivatives with substituted alkali metals (Na, K, Li): DFT approach

    The potential corrosion inhibition properties of acetyl benzoic acid derivatives with substituted alkali metals (Na, K, Li): DFT approach by Rebaz Obaid Kareem, Othman Abdulrahman Hamad

    Published 2025-06-01
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