Third-order Mgller-Plesset perturbation theory (MP3) with a 6-31G\*\* basis set was applied to study the relative stabilities of H+(X)2 conformations (X =CO and N2) and their clustering energies. The effect of both basis set extensions and electron correlation is not negligible on the relative stabi
Theoretical study of structure and stability of h+x (h2)n clusters
โ Scribed by K. Hirao; S. Yamabe
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 335 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0009-2614
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