Structural and Electronic Properties of Donor-Acceptor Molecular System: B3LYP/ DFT Calculations
Present work deals with the structural and electronic properties of trifluorocarbon-nitro CF3-NO as a donor-acceptor molecular system. Density functional theory at the three parameters B3LYP level of theory was employed with various basis sets to determine and calculate some structural and electron...
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| Format: | Article |
| Language: | English |
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University of Thi-Qar
2019-07-01
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| Series: | مجلة علوم ذي قار |
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| Online Access: | https://jsci.utq.edu.iq/index.php/main/article/view/657 |