Electronic structure of CH3CN and CH3NC : ab initio result
β Scribed by Tae-Kyu Ha
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 303 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
The microwave spectrum of iminopyruvonitrile has been investigated from 19 to 5 1 GHz. Rotational transitions have been assigned for the vibrational ground state and the rotational and centrifugal distortion constants have been adjusted. The electric dipole components pO= 1.806(6), y,=O.759(21) and
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