Physical Review Letters · 2016 · 32 citations · 42 references
Natural SciencesChemistryPhysicsChemical KineticsPhysical ChemistryThermodynamicsCluster ChemistryNucleationCluster FormationDissociation Rate ConstantsLow-temperature GrowthMaster Equation ApproachesMaster Equation ModelsReaction Rate CoefficientsSupersonic FlowTemperature-dependent Kinetics
We present a combined experimental and theoretical low temperature kinetic study of water cluster formation. Water cluster growth takes place in low temperature (23-69 K) supersonic flows. The observed kinetics of formation of water clusters are reproduced with a kinetic model based on theoretical predictions for the first steps of clusterization. The temperature- and pressure-dependent association and dissociation rate coefficients are predicted with an ab initio transition state theory based master equation approach over a wide range of temperatures (20-100 K) and pressures (10^{-6}-10 bar).
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A Simplex Method for Function Minimization
J. A. Nelder, R. Mead · The Computer Journal · 1965 · 28.9K citations
Long-range transition state theory
Yuri Georgievskii, Stephen J. Klippenstein · The Journal of Chemical Physics · 2005 · 318 citations
Natural Sciences, Chemistry, Physics +14