Dissociation barriers for odd-numbered acyclic nitrogen molecules N9 and N11

Journal of Physical Chemistry A

Volumn 106, Issue 29, 2002, Pages 6880-6882

  Thompson, Marlyn D ^a   Bledson, Telia M ^a   Strout, Douglas L ^a  

^a ALABAMA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HIGH ENERGY DENSITY MATERIALS (HEDM);

ATOMIC PHYSICS; CORRELATION THEORY; DISSOCIATION; ISOMERS; NITROGEN; PERTURBATION TECHNIQUES;

MOLECULAR DYNAMICS;

EID: 0037173882     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0208182     Document Type: Article

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20. -1, respectively. Following the reaction coordinate down to the staggered minimum results in energy lowering of 3.3 and 3.2 kcal/mol with HF/CC-PVDZ and MP2/CC-PVDZ, respectively. All of the nonplanar distortion imaginary frequencies in this study are of a magnitude far lower than these ethane results.