An ab initio SCF MOLCAO calculation ofthe potential energy surface (PES) of'% COs with aHuzinaga-Dunning ( lOs6p2d) / 4s3p2d basis set is presented. A PES up to zz 10000 cm-' has been fitted by the fourth-order polynomial with analogous fitting of the components of the dipole moment by third-order p
Potential energy surface and vibrational analysis along the stretching vibrations of the ArHAr+ ion
β Scribed by Janne Nieminen; Esa Kauppi
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 476 KB
- Volume
- 217
- Category
- Article
- ISSN
- 0009-2614
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