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Molecular orbital calculations on transition metal complexes. Part IX

โœ Scribed by Denis W. Clack; William Smith

Book ID
118288003
Publisher
Springer
Year
1974
Tongue
English
Weight
311 KB
Volume
36
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

Molecular orbital calculations on transi
Molecular orbital calculations on transition metal complexes. Part XIII. Ground states and bonding in 3d5 bis-benzene complexes
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
Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex ฯ€-cyclopentadienyl-ฯ€-cyclooctatetraenyltitanium
โœ D.W. Clack; K.D. Warren ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 405 KB

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