SCF MO LCAO ab tnttio computations were carried out for 165 contigurattons of the acetomtrde dimer and the cd-c&ted interaction cnergtcs were fitted by an analyttcal potcnttal consisting of a 6-12 Lcnnard-Jones term plus a coulombic term. The configurations correspondtng to the energy mtntma fit quo
β¦ LIBER β¦
A note on the AB initio calculation of intermolecular potentials: the HF dimer
β Scribed by Hans Lischka
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 253 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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