2004•Journal of Molecular Structure THEOCHEMRequires access

Vibrational mode analysis for the multi-channel reaction of CH3CCH+H

Hui Fu, Zhengyu Zhou, Xinming Zhou, Xueli Cheng

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Key concepts: Mode (computer interface), Density functional theory, Reaction mechanism, Potential energy surface, Transition state, Basis (linear algebra), Channel (broadcasting), Mechanism (biology)

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