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| Creator | Title | Description | Subject | Date | ||
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 | Truong, Thanh | Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with fluoromethanes | A direct ab initio dynamics study on the gas-phase reactions of atomic hydrogen with different fluoromethanes has been carried out. The thermal rate constants were calculated using canonical variational transition state (CVT) theory augmented by multidimensional semiclassical zero and small curvatur... | Hydrogen abstraction reactions; Gas-phase reactions; Fluoromethanes; Thermal rate constants; Moller?Plesset perturbation theory; Hybrid density functional theory | 1999 |
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