International Journal of Computational and Theoretical Chemistry

Volume 10, Issue 2, December 2022

  • Theoretical Study on the Stereo Electronic Interactions of Busulfan Anti-cancer Drug with Modified Nano Cellulose Surface

    Mohammad Rizehbandi, Maryam Ariannezhad

    Issue: Volume 10, Issue 2, December 2022
    Pages: 14-20
    Received: 13 July 2022
    Accepted: 12 August 2022
    Published: 24 August 2022
    DOI: 10.11648/j.ijctc.20221002.11
    Abstract: In this study, the interaction of Busulfan anticancer drug with PEG-modified cellulose was investigated. The impacts of the stereo electronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions, and total steric exchange energies on the structural and electronic properties and reactivity of modified cellulose ... Show More