A theoretical approach to design unconventional superconductors by heterocyclic molecules

Ogretir C., Arslan T., Yarligan S.

NATO Advanced Research Workshop on New Challenges in Superconductivity, Florida, United States Of America, 11 January - 14 February 2004, vol.183, pp.259-264 identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 183
  • Doi Number: 10.1007/1-4020-3085-1_37
  • City: Florida
  • Country: United States Of America
  • Page Numbers: pp.259-264


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.