Analytic gradient and second-derivative m+ods are used to obtain the equilibrium geometry and vibrational frequencies of the carbon suboxide molecule. The wry-low-frequency bending mode is reproduced by the calculation. At the SCF level the linear geometry is found to be the equilibrium structure.
Equilibrium structure and vibrational frequencies of the O4 molecule
β Scribed by V. Adamantides
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 394 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0301-0104
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