Author:
Schlegel H. Bernhard,Wolfe Saul,Bernardi Fernando
Abstract
The dissociation energies of second and third period hydrides have been estimated by fitting a Morse potential to the harmonic and cubic stretching force constants computed from abinitio wavefunctions. The estimates thus obtained are superior to dissociation energies computed by direct differences of Hartree–Fock energies.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
16 articles.
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