ISSN:
1432-2234
Keywords:
Correlation energy of radicals
;
Perturbation calculations of correlation energy of radicals
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The title technique was applied to a series of elementary chemical reactions. Second and third order contributions to the correlation energy were computed for the basis sets of the double zeta and double zeta plus polarization quality. Calculated heats of reaction and energies of activation were compared with the experimental data and the results of the bestab initio calculations reported in the literature.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00552595
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