Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products

Journal of Physical Chemistry A

Volumn 119, Issue 46, 2015, Pages 11366-11375

  Kurtén, Theo ^a   Rissanen, Matti P ^a   Mackeprang, Kasper ^b   Thornton, Joel A ^c   Hyttinen, Noora ^a   Jørgensen, Solvejg ^b   Ehn, Mikael ^a   Kjaergaard, Henrik G ^b  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; MONOTERPENES; NUMERICAL METHODS; OXIDATION; OZONE; RATE CONSTANTS;

ATMOSPHERIC CONDITIONS; COMPUTATIONAL STUDIES; COUPLED CLUSTERS; DENSITY FUNCTIONALS; OXIDIZED PRODUCTS; OZONOLYSIS PRODUCTS; RING OPENING MECHANISM; RING OPENING REACTION;

OLEFINS;

EID: 84947998346     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b08948     Document Type: Article

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