A high level theoretical investigation of the N2O4→2 NO2 dissociation reaction: Is there a transition state?

The N2O4→2 NO2 dissociation reaction was investigated at a high level of theory using the couple cluster with all single and double excitations and connected triples [CCSD(T)] and complete active space self-consistent field approaches, and the cc-pVDZ, aug-cc-pVDZ, and cc-pVTZ basis sets. Only at th...

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Veröffentlicht in:	The Journal of chemical physics 2003-03, Vol.118 (9), p.4060-4065
Hauptverfasser:	Ornellas, Fernando R., Resende, Stella M., Machado, Francisco B. C., Roberto-Neto, Orlando
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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