DOI: 10.1039/d4nj02628d ISSN: 1144-0546

Structures, aromaticity, AIM, and NBO analyses of hydroxy and mercapto azaazulene: a DFT study

Abrar S. Hussein, Mohammed T. Abdel-Aal, Ahmed M. El-Nahas, Asmaa B. El-Meligy

Aromaticity, AIM, ESP and NBO analyses of hydroxy and mercapto azaazulene tautomers and rotamers.

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