Bent Rule: Theoretical studies of nonmetal fluorides


Kandemirli F., Hoscan M., Ozturk A., Uluadaoglu E.

6th International Conference of the Balkan-Physical-Union, İstanbul, Türkiye, 22 - 26 Ağustos 2006, cilt.899, ss.563 identifier identifier

  • Cilt numarası: 899
  • Doi Numarası: 10.1063/1.2733304
  • Basıldığı Şehir: İstanbul
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.563

Özet

Energies, hardness values and polarizibilities, for PF3, H3BPF3, SPF3, OPF3 and different isomers of, SF4, OSF4 H2CSF4 were calculated with density functional and Hartree-Fock level using different basis sets and compared with those which are expected from the Bent Rule.