Abstract
Quantum chemical calculations at molecular mechanical level were carried out to search a possible correlation between the number of pyrrole units and the total energy, dipole moment and dihedral angles of the possible polymers of pyrrole molecule. The ideal superconductive polymer of that molecule could be formed by repeating asymmetric type of dimer up to 3 units.
Key words
- superconductivity
- quantum chemical
- heterocyclic molecules
- unconventional superconductors
- dimer
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Öğretir, C., Arslan, T., Yarligan, S. (2005). A Theoretical Approach to Design Unconventional Superconductors by Heterocyclic Molecules. In: Ashkenazi, J., et al. New Challenges in Superconductivity: Experimental Advances and Emerging Theories. NATO Science Series II: Mathematics, Physics and Chemistry, vol 183. Springer, Dordrecht. https://doi.org/10.1007/1-4020-3085-1_37
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DOI: https://doi.org/10.1007/1-4020-3085-1_37
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Publisher Name: Springer, Dordrecht
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Online ISBN: 978-1-4020-3085-7
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