Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene

Heats of formation of the lowest triplet state of ethylene and the ground triplet state of ethylidene have been predicted by high level electronic structure calculations. Total atomization energies obtained from coupled-cluster CCSD(T) energies extrapolated to the complete basis set limit using corr...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2008-03, Vol.112 (10), p.2082-2087
Hauptverfasser:	Nguyen, Minh Tho, Matus, Myrna H, Lester, William A, Dixon, David A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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