Linear acenes linked thiophene, electronic and chemical properties: Prospects for molecular organic electronic material

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...

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Bibliographic Details
Main Authors: Musa, A., Saeed, M. A., Shaari, A., Sahnoun, R., Lawal, M., Munir, J.
Format: Article
Language:English
Published: Penerbit UTM Press 2016
Subjects:
QC Physics
Online Access:http://eprints.utm.my/id/eprint/74594/1/AMusa2016_LinearAcenesLlinkedThiopheneElectronic.pdf
http://eprints.utm.my/id/eprint/74594/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976408192&doi=10.11113%2fjt.v78.9199&partnerID=40&md5=2c5b5d8b890784f62221bc9c96d3f639
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Institution: Universiti Teknologi Malaysia
Language: English

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http://eprints.utm.my/id/eprint/74594/1/AMusa2016_LinearAcenesLlinkedThiopheneElectronic.pdf
http://eprints.utm.my/id/eprint/74594/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976408192&doi=10.11113%2fjt.v78.9199&partnerID=40&md5=2c5b5d8b890784f62221bc9c96d3f639

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