Computational Methods in Organic Thermochemistry. 4. Enthalpies and Gibbs Energies of Formation of the cis- and trans-Diazenes

The enthalpies and Gibbs energies of formation are examined for over 100 aliphatic cis- and trans-diazenes using the G3, G3(MP2), and CBS-QB3 model chemistries for compounds ranging from two to ten heavy atoms. The values computed using bond separation reactions were corrected to compensate for the...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2009-01, Vol.113 (4), p.719-725
1. Verfasser:	Bond, Douglas
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Molecular Structure, Quantum Chemistry, General Theory
Online-Zugang:	Volltext
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