The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations
✍ Scribed by Martin, Jan M. L.; Lee, Timothy J.; Taylor, Peter R.; François, Jean-Pierre
- Book ID
- 121811629
- Publisher
- American Institute of Physics
- Year
- 1995
- Tongue
- English
- Weight
- 541 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.469681
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The &monk foice field of mgh&neimine (HzCNH) in the A' symmetry species has been calculated.from ab initiq SCF wavefunctions and is compared with the force Gel& of ethylene and formaldehyde. Vibrational frequenties and normal modes of vibrations have been calculated in o&er to give an explanationof
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