A unique approach to address avoided crossings in the charge stabilization curve for LUMO identification.

Autor: Kumar, Deepak1 (AUTHOR) gupta@iitg.ac.in, Gupta, Ashish Kumar1 (AUTHOR)
Zdroj: Journal of Chemical Physics. 9/7/2024, Vol. 161 Issue 9, p1-12. 12p.
Databáze: Academic Search Ultimate