CALCULATED VIBRATION FREQUENCIES AND IR ABSORPTION INTENSITIES OF [6] CYCLACENE (CHIRAL) MOLECULE
ABSTRACT.:Density Functional Theory (DFT) of the type (B3LYP) and a Gaussian basis (6-311G) was applied for calculating the vibration frequencies and IR absorption intensities for normal coordinates of the ([6] Cyclacene (Chiral), with (D3d) symmetry) molecule. Comparison of the results showed that...
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| Format: | Article |
| Language: | English |
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University of Anbar
2011-08-01
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| Series: | مجلة جامعة الانبار للعلوم الصرفة |
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| Online Access: | https://juaps.uoanbar.edu.iq/article_15271_01a93683f95d3732bccd220f6fe13627.pdf |