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Vibrational spectroscopic and ab initio molecular orbital studies of the normal and 13C-labelled trifluoromethanesulfonate anion

โœ Scribed by Weiwei Huang; Ralph A. Wheeler; Roger Frech


Book ID
103908199
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
702 KB
Volume
50
Category
Article
ISSN
1386-1425

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AB initio molecular orbital studies of t
โœ Ratnakar K. Gosavi; Otto P. Strausz ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 347 KB

Molecular geometry optimization of % 'A, ground and several singlet and triplet excited states of SiCl, have been carried out at the RHF SCF level with 6-31G' basis set. For the ground 'Ai state, the computed bond length (R(Si-Cl) = 2.096 A), bond angle (KlSiCl = 101.19") and harmonic vibrational fr