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Molecular orbital calculations on transition-metal complexes. Part IV. Square planar copper(II) complexes

โœ Scribed by Clack, D. W.; Farrimond, M. S.


Book ID
111903735
Publisher
The Royal Society of Chemistry
Year
1972
Tongue
English
Weight
672 KB
Volume
1
Category
Article
ISSN
1472-7773

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๐Ÿ“œ SIMILAR VOLUMES


Molecular orbital calculations on transi
โœ D.W. Clack; W. Smith ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 507 KB

INDO SCF Molecular orbital results are reported for the bis-benzene complexes V(&,H&, G(CeH& and [Cr(Ce,He)2/'. In contrast to the 'Ezg and 6A1s ground states previously obtained for the closely related fenicenium and manganocene, a 'A I gground electronic conftguration is computed for V(I(cgH& and

Molecular orbital calculations on transi
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INDO SCF molecular orbital calculations have been carried out for the title complex. The results confirm the 'A, ground state indicated by esr measurements, showing the unpaired electron to reside in a dominantly metal d,l orbital, whilst the next filled level is derived mainly from a n-&and e, orbi