Molecular orbital calculations on copper chloride complexes

P. Ros, G.C.A. Schuit

Research output: Contribution to journalArticleAcademicpeer-review

220 Citations (Scopus)


The M.O. calcn. is of the Wolfsberg-Helmholtz type. However, in contrast to the usual empirical detn. of the H11 integrals, these integrals are computed from the wave functions of the free ions. The calcn. is performed on Cu in a tetrahedral, sq. planar and octahedral environment of Cl, the results being compared subsequently. [on SciFinder (R)]
Original languageEnglish
Pages (from-to)1-12
Number of pages12
JournalTheoretica Chimica Acta
Issue number1
Publication statusPublished - 1966


Dive into the research topics of 'Molecular orbital calculations on copper chloride complexes'. Together they form a unique fingerprint.

Cite this