Structural, Electronic, Vibrational and Optical Properties of All 23 Isolated-Pentagon Rule Isomers of C58N2 Azafullerene; A DFT Study

Publication date: Available online 14 December 2020Source: Computational and Theoretical ChemistryAuthor(s): A-Reza Nekoei, Zahra Hamzavi Hamzekhani

Source: Computational and Theoretical Chemistry - December 15, 2020 Category: Chemistry Source Type: research