Amide imidic prototropic tautomerization of efavirenz, NBO analysis, hyperpolarizability, polarizability and HOMO–LUMO calculations using density functional theory

Publication date: July 2021Source: Computational and Theoretical Chemistry, Volume 1201Author(s): Maryam Amra Jordaan, Oluwakemi Ebenezer, Khethiwe Mthiyane, Nkululeko Damoyi, Michael Shapi

Source: Computational and Theoretical Chemistry - May 9, 2021 Category: Chemistry Source Type: research