Bent Rule: Theoretical Studies of Nonmetal Fluorides

Details Bent Rule: Theoretical Studies of Nonmetal Fluorides Bent Rule: Theoretical Studies of Nonmetal Fluorides

Apr 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007aipc..899..563k&link_type=abstract

SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION. AIP Conference Proceedings, Volume 899, pp. 563-563 (2007).

Physics

Density-Functional Theory, Self-Consistent-Field Methods, Bond Strengths, Dissociation Energies, Electric And Magnetic Moments, Polarizability, And Magnetic Susceptibility

Scientific paper

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.

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