Title of article
Heats of formation and proton affinities by the G3 method
Author/Authors
Hammerum، نويسنده , , Steen، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
4
From page
529
To page
532
Abstract
Proton affinities of 29 simple organic molecules calculated with the G3 method agree well with experimental results from the literature as well as with results obtained with the G2(MP2) and CBS-Q methods. The choice of empirical correction in the G3 method introduces a small systematic error on either G3 heats of formation or G3 proton affinities.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1776787
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