Eigenvalues corresponding to the three torsional degrees of freedom were calculated for the water trimer and its deuterated isotopomer in four sets of calculations involving different potential energy surfaces. The four potential surfaces were developed in this work by reparametrization of the CKL f
Ab initio potential energy surface for the low-frequency out-of-plane bending motions of the water trimer
โ Scribed by Jeanne G.C.M. van Duijneveldt-van de Rijdt; Frans B. van Duijneveldt
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 566 KB
- Volume
- 237
- Category
- Article
- ISSN
- 0009-2614
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