Ab initio and Direct Quasiclassical Trajectory Study of the F + CH₄ → HF + CH₃ and F + C₂H₆ → HF + C₂H₅ Reactions
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Date
2007-09-25
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Publisher
Virginia Tech
Abstract
Description
Keywords
potential energy surface, direct dynamics, specific reaction parameter semiempirical Hamilton, quasiclassical trajectory study