Theoretical study of unimolecular decomposition of allene cations

Journal of Chemical Physics

Volumn 129, Issue 22, 2008, Pages

  Mebel, A M ^a   Bandrauk, A D ^b  

^a FLORIDA INTERNATIONAL UNIVERSITY   (United States)

^b UNIVERSITÉ DE SHERBROOKE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DIELECTRIC DEVICES; EXPLOSIVES; PERTURBATION TECHNIQUES; POSITIVE IONS; RATE CONSTANTS;

AB INITIO; COMPLETE ACTIVE SPACES; COULOMB EXPLOSIONS; COUPLED CLUSTERS; DICATION; DISSOCIATION ENERGIES; DISSOCIATION MECHANISMS; DISSOCIATION THRESHOLDS; ENERGY RANGES; EXPERIMENTAL OBSERVATIONS; FIELD LEVELS; GEOMETRY OPTIMIZATIONS; INTERNAL ENERGIES; IONIZATION ENERGIES; MOLECULAR FRAGMENTS; PERTURBATION THEORIES; PRODUCT YIELDS; PROPYNE; REACTION CHANNELS; REACTION STEPS; UNIMOLECULAR DECOMPOSITIONS;

DISSOCIATION;

EID: 57749096268     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3037204     Document Type: Article

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