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The potential energy surface of the Na(32S12)+HF(X1Σ+) reaction

✍ Scribed by Antonio Laganà; Maria L. Hernandez Hernandez; Jose M. Alvariño; Leonardo Castro; Paolo Palmieri

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
578 KB
Volume
202
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 information.

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