Explanation of the unusual temperature dependence of the atmospherically important OH + H₂S → H₂O + HS reaction and prediction of the rate constant at combustion temperatures

Keyphrases

• Combustion Temperature 100%
• Temperature Dependence 100%
• Density Functional 66%
• Reaction Pathway 66%
• Torsion 33%
• Canonical Variational Transition State Theory 33%
• Combustion 33%
• Mirror Image 33%
• Activation Energy 33%
• Transition State 33%
• M06-2X 33%
• Binding Energy 33%
• Direct Dynamics 33%
• Anharmonicity 33%
• Multidimensional Tunneling 33%
• Kinetic Isotope Effect 33%
• QCISD 33%
• Multiple Paths 33%
• Atmospheric Chemistry 33%
• Wavefunction Theory 33%
• Curvilinear Coordinates 33%
• Mechanistic Kinetic Model 33%
• Generalized Normal Distribution 33%
• Experimental Scatter 33%
• Pitzer 33%
• 3-MC 33%
• Torsional Mode 33%
• Reference Potential 33%
• Symmetry number 33%
• Normal Mode Frequencies 33%

Chemistry

• Reaction Path 100%
• Rate Constant 100%
• Transition State Theory 50%
• Energetics 50%
• Reaction Activation Energy 50%
• Transition State 50%
• Anharmonicity 50%
• Kinetic Isotope Effect 50%
• Wave Function Theory 50%
• Normal Modes 50%
• Atmospheric Chemistry 50%
• QCISD 50%
• Binding Energy 50%