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Valency-Based Molecular Descriptors for Measuring the π-Electronic Energy of Lower Polycyclic Aromatic Hydrocarbons

Authors :
Asad Khan
Sakander Hayat
Jia-Bao Liu
Suliman Khan
Source :
Polycyclic Aromatic Compounds. 42:1113-1129
Publication Year :
2020
Publisher :
Informa UK Limited, 2020.

Abstract

In this article, the efficiency of all the well-known valency-based molecular descriptors has been measured using certain comparative testing. Importantly, we use a computational technique for hexa...

Details

ISSN :
15635333 and 10406638
Volume :
42
Database :
OpenAIRE
Journal :
Polycyclic Aromatic Compounds
Accession number :
edsair.doi...........1b0f8155c1ebe114083a600bb1491929