Potential energy surface for methyl fluoride dimer has been studied theoretically with ab initio molecular orbital method, using a 4-31G basis set. Dimer dissociation energies, Mulliken electronic populations, and dipole moments were obtained.
โฆ LIBER โฆ
The ground-state geometry of methyl fluoride
โ Scribed by D.F. Eggers Jr.
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 362 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-2860
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The electronic ground state of Ne~" is studied by multireference conf'lguration interaction calculations. This includes the compotation of potential energy surfaces for Cยฎv and C,v geometries and potential energy curves for the diatomic ion Ne~" (2Z~+). In contrast to the situation for He~" and Ar~,