Works matching DE "MOLECULAR theory"

Results: 751
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    A molecular electron density theory investigation of the molecular mechanism, regioselectivity, stereoselectivity and chemoselectivity of cycloaddition reaction between acetonitrile N-oxide and 2,5-dimethyl-2H-[1,2,3]diazarsole.

    Published in:
    Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 2, p. 1, doi. 10.1007/s00214-020-2547-6
    By:
    • Zeroual, Abdellah;
    • Ríos-Gutiérrez, Mar;
    • El Ghozlani, Mohamed;
    • El Idrissi, Mohammed;
    • Ouled Aitouna, Anas;
    • Salah, Mohammed;
    • El Alaoui El Abdallaoui, Habib;
    • Domingo, Luis Ramon
    Publication type:
    Article
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    Novel pyrazoline-thiazole hybrids containing azo group as antibacterial agents: design, synthesis, in vitro bioactivity, in silico molecular docking, ADME profile and DFT studies.

    Published in:
    Research on Chemical Intermediates, 2024, v. 50, n. 9, p. 4551, doi. 10.1007/s11164-024-05354-x
    By:
    • Hussein, Hawzheen Yassin;
    • Hasan, Aso Hameed;
    • Hussein, Awaz Jamil;
    • Ayoob, Mzgin Mohammed;
    • Samad, Mohammed Kareem;
    • Hussen, Narmin Hamaamin;
    • Hawaiz, Farouq Emam;
    • Shakya, Sonam;
    • Muzaffar, Sughra;
    • Jamalis, Joazaizulfazli
    Publication type:
    Article