Role of isomerization channel in unimolecular dissociation reaction H2CO→H2+CO: Ab initio global potential energy surface and classical trajectory analysis

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11131-11138

  Yonehara, Takehiro ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION RATE; INTRAMOLECULAR DYNAMICS; INTRAMOLECULAR VIBRATIONAL ENERGY RANDOMIZATION; POTENTIAL ENERGY SURFACE; RICE-RAMSPERGER-KASSEL-MARCUS THEORY; SHEPARD INTERPOLATION METHOD; UNIMOLECULAR DISSOCIATION DYNAMICS;

CALCULATIONS; CURVE FITTING; DISSOCIATION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; HYDROGEN INORGANIC COMPOUNDS; INTERPOLATION; ISOMERIZATION; LEAST SQUARES APPROXIMATIONS; MOLECULAR VIBRATIONS; RATE CONSTANTS;

MOLECULAR DYNAMICS;

EID: 0037461508     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1523058     Document Type: Article

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