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Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: a computational methodology study
Jonas Elm,
Solvejg Jørgensen
, Merete Bilde,
Kurt Valentin Mikkelsen
Kemisk Institut
29
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Alfabetisk
Chemistry
Density Functional Theory
100%
Rate Constant
66%
Hydrogen
66%
Vibrational Frequency
66%
Coupled Cluster
33%
Transition State
33%
Methanol
33%
Perturbation Theory
33%
Møller-Plesset Perturbation Theory
33%
k·p perturbation theory
33%
Coupled Cluster Singles and Doubles Theory
33%
CCSD
33%
Engineering
Tunnel Construction
100%
Hydrogen Abstraction
66%
Discrete Fourier Transform
66%
Rate Constant
66%
Experimental Uncertainty
33%
Branching Ratio
33%
Gas-Phase
33%
Keyphrases
Methodology Study
100%
Oxygenated Compounds
66%
Tunneling Correction
66%
Yield Rate
33%
Oxygenated Hydrocarbons
33%
Energy Correction
33%
Material Science
Density
100%