The potential energy surface for the ground state Na+HF reaction has been computed at an ab initio level and represented using a polynomial in the bond order coordinates. The accuracy of the surface is discussed by comparing the results of quasiclassical dynamical calculations with experimental info
Two-configuration mc potential energy surface for the reaction of Mg with HF
✍ Scribed by Miguel Paniagua; José Manuel García De La Vega; José Ramón Alvarez Collado; Juan Carlos Sanz; José María Alvariño; Antonio Laganà
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 946 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0301-0104
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