CiteScore: 4.9     h-index: 21

Molecular Structure, Optical Properties and Frontier Molecular Orbitals for Some of the 4-Substituted Cinnolines: Ab initio Calculations
Molecular Structure, Optical Properties and Frontier Molecular Orbitals for Some of the 4-Substituted Cinnolines: Ab initio Calculations

Vahideh Hadigheh Rezvan

Volume 5, Issue 1 , January 2022, , Pages 10-21

https://doi.org/10.22034/ajca.2022.296241.1273

Abstract
  In this paper, quantum chemical calculations were performed on urea, cinnoline, and some cinnoline derivatives (1-8) at ab initio/HF/6-311G (d, p) level of theory using Gaussian09 and ...  Read More