Thermochemical analysis and kinetics aspects for a chemical model for camphene ozonolysis

Journal of Chemical Physics

Volumn 137, Issue 13, 2012, Pages

  Oliveira, R C De M ^a   Bauerfeldt, G F ^a  

^a FEDERAL RURAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; BASIS SETS; BOUND STRUCTURE; CHEMICAL MODEL; DENSITY FUNCTIONALS; DOUBLE BONDS; ELECTRONIC ENERGIES; ELECTROPHILIC ATTACK; ELEMENTARY REACTION; ENTHALPY DIFFERENCES; EQUILIBRIUM CONDITIONS; FREE-ENERGY DIFFERENCE; GEOMETRY OPTIMIZATION; KINETIC DATA; MONOTERPENES; OPTIMIZED GEOMETRIES; OZONE ADDITION; OZONOLYSIS; PEROXY RADICALS; POSTERIORI; PRODUCT MIXTURE; SADDLE POINT; SINGLE-POINT CALCULATIONS; THEORETICAL CALCULATIONS; THERMOCHEMICAL ANALYSIS; THERMOCHEMICAL PROPERTIES; TRANSITION STATE THEORIES;

ATMOSPHERIC CHEMISTRY; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; ENTHALPY; FREE RADICAL REACTIONS; KINETICS; MOLECULES; OZONE; RATE CONSTANTS; REACTION INTERMEDIATES; REACTION KINETICS;

CHEMICAL BONDS;

CAMPHENE; OZONE; TERPENE;

ARTICLE; CHEMISTRY; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

KINETICS; OZONE; QUANTUM THEORY; TERPENES; THERMODYNAMICS;

EID: 84870174933     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4757150     Document Type: Article

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