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Molecular orbital calculations on platinum—gold heterometallic clusters

✍ Scribed by David I. Gilmour; D. Michael P. Mingos


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
963 KB
Volume
302
Category
Article
ISSN
0022-328X

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✍ N.J. Trappeniers; G. de Brouckère; C.A. Ten Seldam 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 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.