Experimental and theoretical analysis of the kinetics of the reaction of atomic bromine with 1, 4-dioxane

Journal of Physical Chemistry A

Volumn 114, Issue 1, 2010, Pages 291-298

  Giri, Binod Raj ^a,c   Roscoe, John M ^a   González García, Núria ^b   Olzmann, Matthias ^b  

^a ACADIA UNIVERSITY   (Canada)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^c University Research Centre   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,4-DIOXANE; ADDITION-ELIMINATION; ATOMIC BROMINES; CCSD; CONFORMATIONAL CHANGE; EXPERIMENTAL CONDITIONS; EXPERIMENTAL VALUES; ISO-OCTANE; ISOBUTANES; MOLECULAR DATA; MOLECULAR GEOMETRIES; MULTI-STEP MECHANISM; QUANTUM CHEMICAL CALCULATIONS; RATE COEFFICIENTS; RATE DETERMINING STEP; REFERENCE COMPOUNDS; RELATIVE RATE METHOD; SINGLE-POINT ENERGY; STATIONARY POINTS; TOTAL PRESSURE; TRANSITION STATE THEORIES;

ARGON; ATOMS; BROMINE; BUTANE; ETHERS; LIQUEFIED PETROLEUM GAS; ORGANIC COMPOUNDS; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION INTERMEDIATES;

REACTION KINETICS;

1,4-DIOXANE; BROMINE; DIOXANE; DIOXANE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROSCOPY; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

BROMINE; COMPUTER SIMULATION; DIOXANES; KINETICS; MODELS, CHEMICAL; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS;

EID: 75249106451     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp908168u     Document Type: Article

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