Linear acenes linked thiophene, electronic and chemical properties: Prospects for molecular organic electronic material
We report a theoretical study of linear acene (n=1 to 7) linked thiophene properties functionality. The total ground state and band gap energies, Coulomb potential and nuclear repulsion energy are calculated by DFT, MP2 at B3LYP exchange level of the theory and 6-311G* basis set. The results are in...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Penerbit UTM Press,
2016.
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| Subjects: | |
| Online Access: | Get fulltext |