Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)
This work investigates computationally the spectroscopic and thermodynamics properties of the perylene molecule (C20H12) in the gas phase by utilizing a semi-empirical method [Hyper Chem8.0 and WinMopac7.0] programs, via (MNDO-PM3). This method is providing more simplicity and quick performance. The...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
V.N. Karazin Kharkiv National University Publishing
2023-03-01
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Series: | East European Journal of Physics |
Subjects: | |
Online Access: | https://periodicals.karazin.ua/eejp/article/view/21106 |