Bent Rule: Theoretical studies of nonmetal fluorides

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

6th International Conference of the Balkan-Physical-Union, İstanbul, Turkey, 22 - 26 August 2006, vol.899, pp.563 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 899
  • Doi Number: 10.1063/1.2733304
  • City: İstanbul
  • Country: Turkey
  • Page Numbers: pp.563
  • Kocaeli University Affiliated: Yes

Abstract

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.