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Structural and electronic properties of polyyne and cumulene chains with phenylene as central aromatic group: a density functional theory study |
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| Authors: | Balakrishnan AbhayRam Vijayakumar Subramaniam |
| Affiliation: | 1.Department of Physics, Bharathiar University, Coimbatore, 641 046, India ;2.Department of Medical Physics, Bharathiar University, Coimbatore, 641 046, India ; |
| Abstract: | Structural Chemistry - The present work studies effects of the introduction of phenylene group as the central aromatic group on the structural and electronic properties of polyyne (Pol-[HCN]2Ph)... |
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