Amide ⇔ Imidic prototropic tautomerization of efavirenz, NBO analysis, hyperpolarizability, polarizability and HOMO–LUMO calculations using Density Functional Theory

Publication date: Available online 24 April 2021Source: Computational and Theoretical ChemistryAuthor(s): Maryam Amra Jordaan, Oluwakemi Ebenezer, Khethiwe Mthiyane, Nkululeko Damoyi, Michael Shapi

Source: Computational and Theoretical Chemistry - April 25, 2021 Category: Chemistry Source Type: research