Thermodynamic and Spectroscopic Properties Investigation of Coronene as a Function of the Number of Oxygen Atoms and Temperature via Density Functional Theory
The study focused on the thermodynamics characteristics such as (Gibbs free energy, heat capacity, entropy and enthalpy) and spectroscopic properties like (IR spectra, reduced masses, and force constant) of coronene (C24) and reduced coronene oxide (C24OX) where X =1–5 as a function of number of ox...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Baghdad
2024-06-01
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| Series: | Iraqi Journal of Physics |
| Subjects: | |
| Online Access: | https://ijp.uobaghdad.edu.iq/index.php/physics/article/view/1239 |
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