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Structures, Vibrational Spectra, and Relative Energetics of CH3COIO3 Isomers

✍ Scribed by Mao-Fa GE; Chun-Ping MA


Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
151 KB
Volume
26
Category
Article
ISSN
0256-7660

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An ab initio study of the structures and
✍ Joseph S. Francisco πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 259 KB πŸ‘ 2 views

The equilibrium structures, vibrational spectra, and heats of formation for CH OCl and CH ClO have been estimated using high levels of ab initio molecular 3 3 orbital theory. The lowest energy isomer is found to be CH OCl, and its heat of 3 formation is estimated to be y13.5 " 2 kcal mol y1 , in goo

Vibrational spectra and Raman intensity
✍ Isao Kanesaka; Junko Kitamura; Shin-ichi Nishikiori πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 84 KB πŸ‘ 2 views

The Raman and infrared spectra of N(CH 3 ) 4 [CdCu(CN) 4 ]β€’CCl 4 are reported, revealing back-donation of the d electrons of Cu Y ions to C N bonds, a Raman intensity change, especially in the n 2 mode of CCl 4 , and the existence of strong host modes at 170 and 143 cm -1 . A normal coordinate analy