Molecular orbital calculations on some c
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N.J. Trappeniers; G. de Brouckère; C.A. Ten Seldam
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Article
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1971
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Elsevier Science
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English
β 515 KB
A semi-empirical MO calculation has been %gcIe on a number of copper complexes which are of interest in EPR and in quantum chemistry: CuCI4 , CuCI $2 CuCI4~NH3)2. Debits aregix-enaboutthe charge distributiun, overlap populations, and sequence of o ital energies.