Ground state energy, electronic and chemical properties: an investigation of linear acenes (n=1 to 7) linked thiophene for organic electronic material
We report a theoretical study of linear acene (n=1 to 7) linked thiophene functionality. The total ground state energies, HOMO-LUMO energy gap, frontier orbitals energies, electron affinity and ionization potential are calculated at DFT-B3LYP/6-311G* and MP2/6-311G* exchange level of the theory and...
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| Main Authors: | , , , , |
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| Format: | Conference or Workshop Item |
| Language: | English |
| Published: |
2015
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/62233/1/MohammadAlamSaeed2015_GroundStateEnergyElectronicandChemicalProperties.pdf http://eprints.utm.my/id/eprint/62233/ |
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