The geometrical structure, electronic states and g-tensor values of the hydrated Cu 2+ ion, [Cu(H20)6] 2+ complex, have been studied by means of ab initio MO and MRSDCI methods. The ground state potential energy surface calculated as functions of the axial and equatorial Cu-O bond distances (rax and
Ab initio CASSCF and MRSDCI calculations of the (C6H6)3+ radical
β Scribed by Eisaku Miyoshi; Tapas K Ghosh
- Book ID
- 108311941
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 104 KB
- Volume
- 323
- Category
- Article
- ISSN
- 0009-2614
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