Structure and electronic properties of substitutionally doped Cycloheptane molecule using DFT
A density functional theory (DFT) has been carried out of the calculation molecular structure of Cycloheptane molecule (C7H14) with Gaussian 09 and Gaussian view 5.08 programs. The effects of the substitution Silicon atom in place of the Carbon atom and substituting the one Hydrogen atom by one hydr...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2016-01-01
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| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379716303321 |