The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2

Journal of Chemical Physics

Volumn 132, Issue 6, 2010, Pages

  Bozkaya, Uǧur ^a,b   Turney, Justin M ^b   Yamaguchi, Yukio ^b   Schaefer III, Henry F ^b  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AB INITIO QUANTUM MECHANICAL METHODS; ANHARMONIC; BARRIER HEIGHTS; BORN-OPPENHEIMER CORRECTIONS; COMBUSTION CHEMISTRY; COMPLETE BASIS SET LIMIT; DISSOCIATION REACTIONS; EXOTHERMICITY; EXPERIMENTAL KINETICS; FOCAL POINTS; KINETIC ISOTOPE EFFECTS; PHOTOIONIZATION MASS SPECTROMETRY; QUANTUM MECHANICAL; QUARTIC FORCE FIELDS; REACTION EXOTHERMICITY; RICE-RAMSPERGER-KASSEL-MARCUS; ROOM TEMPERATURE; TOTAL ENERGY; TRANSITION STATE THEORIES; UNIMOLECULAR RATE CONSTANTS; UPPER LIMITS; ZERO-POINT VIBRATIONAL ENERGIES;

DISSOCIATION; IONIZATION POTENTIAL; ISOTOPES; MASS SPECTROMETRY; QUANTUM THEORY; RATE CONSTANTS;

MOLECULES;

EID: 76749109075     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3310285     Document Type: Article

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