ISSN print edition: 0366-6352
ISSN electronic edition: 1336-9075
Registr. No.: MK SR 9/7
Strictly localized molecular orbitals of compounds containing halogen-copper bond by the EMOA method
Department of Inorganic Chemistry, Slovak Technical University,
Abstract: Strictly localized molecular orbitals have been constructed explicitly from directional
one-centric wave functions, i.e. from hybrid atomic orbitals. The EMOA method has
been applied on series of compounds containing fluorine- and chlorine—copper bond.
Binding energies and charge distributions have been calculated.
Full paper in Portable Document Format: 301a13.pdf
Chemical Papers 30 (1) 13–20 (1976)