Stationary points on the ground-state potential energy surface of dimethyldiazene. Isomerization and decomposition in competition

Journal of Physical Chemistry A

Volumn 101, Issue 32, 1997, Pages 5805-5812

  Vrábel, Imrich ^a   Biskupič, Stanislav ^a   Staško, Andrej ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTATIONAL METHODS; CONFORMATIONS; DECOMPOSITION; ELECTRON TRANSITIONS; ISOMERIZATION; MOLECULAR DYNAMICS; REACTION KINETICS;

DENSITY FUNCTIONAL THEORY (DFT); GROUND STATE POTENTIAL ENERGY;

AROMATIC COMPOUNDS;

EID: 0031558343     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970702j     Document Type: Article

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