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Molecular-orbital calculations on some mesoionic compounds

✍ Scribed by K. Sundaram; William P. Purcell


Publisher
John Wiley and Sons
Year
1968
Tongue
English
Weight
610 KB
Volume
2
Category
Article
ISSN
0020-7608

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Molecular orbital calculations on some c
✍ N.J. Trappeniers; G. de BrouckΓ¨re; C.A. Ten Seldam πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 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.