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Ab initio self consistent field studies of metal-phosphate complexes

โœ Scribed by Dennis S. Marynick


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
229 KB
Volume
36
Category
Article
ISSN
0022-2860

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Phosphinidene Transition Metal Complexes
โœ Steven Creve; Kristine Pierloot; Minh Tho Nguyen; Luc G. Vanquickenborne ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 396 KB ๐Ÿ‘ 1 views

Ab initio MO and DFT calculations have been performed on and triplet states, all complexes exhibit a staggered conformation. CASSCF/CASPT2 calculations performed with phosphinidene complexes of the type Cr(CO) 5 -PR, with R = H, CH 3 , SiH 3 , NH 2 , PH 2 , OH, and SH. The formation of the the ANO b