Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)

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...

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Bibliographic Details
Main Authors: Abdul Hakim Sh. Mohammed, Issa Z. Hassan, Hassan A. Kadhem, Rosure Borhanalden Abdulrahman
Format: Article
Language:English
Published: V.N. Karazin Kharkiv National University Publishing 2023-03-01
Series:East European Journal of Physics
Subjects:
perylene
c20h12
energy of molecule
uv-visible
ir
mndo-pm3
thermodynamic
Online Access:https://periodicals.karazin.ua/eejp/article/view/21106

Internet

https://periodicals.karazin.ua/eejp/article/view/21106

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