https://www.selleckchem.com/pr....oducts/Cyclopamine.h
The symmetric C-D stretching mode is a spectator mode in the H + CHD3 → H2 + CD3 reaction. Effects of multiple vibrational excitations of the CHD3 reactant are studied with the quantum transition-state (QTS) framework and an eight-dimensional (8D) model Hamiltonian developed by Palma and Clary. By including many thermal flux eigenstates, results have been obtained up to high energies, allowing the study of the symmetric C-D stretching spectator mode. A new concept of a state-specific thermal flux operator is proposed to analyze the
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