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New Theoretical Description of the Carbon-Carbon Triple Bond

โœ Scribed by Messmer, R. P.; Schultz, P. A.


Book ID
118175361
Publisher
The American Physical Society
Year
1986
Tongue
English
Weight
390 KB
Volume
57
Category
Article
ISSN
0031-9007

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The structures of the organoboron anions HBCH and HBCBHz have been determined using ab initio methods that include the effects of dynamical electron correlation. Optimized geometries, electric dipole moments and harmonic vibrational frequencies are presented and discussed at the various levels of th