Quantum Mechanical Study Using the DFT Method of the Structure, Stability and Vibrationalmosion of the Ketones of Cyclopropane
In this study a DFT calculation on cyclopropanone, cyclopropandione and cyclopropantrione molecules was performed using the basis function 6-31G ** / MP2 and exchange correlation potential B3-LYP. The results showed that the ground state of all molecules geometry belong to the point group ð¶2ð‘£w...
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| Format: | Article |
| Language: | English |
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University of Baghdad
2017-06-01
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| Series: | Ibn Al-Haitham Journal for Pure and Applied Sciences |
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| Online Access: | https://jih.uobaghdad.edu.iq/index.php/j/article/view/1086 |