How to Predict Kinetic Parameters Using the Combination of Electronic Structure Calculations and Transition State Theory

Florent Louis (1) , Carlos A Gonzalez (2)

1 PC2A - Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522
2 NIST - National Institute of Standards and Technology [Gaithersburg]

Domaines: Chimie

Florent Louis, Carlos A Gonzalez. How to Predict Kinetic Parameters Using the Combination of Electronic Structure Calculations and Transition State Theory. 223rd American Chemical Society National Meeting, Apr 2002, Orlando, United States. ⟨hal-03079581⟩