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Ab initio MO study on the protonated species of fluoro-methanes and fluoro-silanes: Structures and energetics

โœ Scribed by Shigeru Ikuta


Book ID
119116916
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
689 KB
Volume
149
Category
Article
ISSN
0166-1280

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The optical rotatory strengths for the first four electronic transitions in fluoro-and methyl-cyclopropanone have been calculated by a large-scale multi-reference CI (MR-Cl) wavefunction. The fluorine effect of the "octant rule" for the first absorption band of the carbonyl chromophore has been conf