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Polyatomic Reaction Dynamics

Tucker Carrington

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Abstract

Motion Internal Coordinate Hamiltonian and Application to Malonaldehyde 64 A. Calculation of the Reaction Surface 68 B. The Hamil toni an 69 c.Calculations and Results 84 D. Conclusions 91

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Motion Internal Coordinate Hamiltonian and Application to Malonaldehyde 64 A. Calculation of the Reaction Surface 68 B. The Hamil toni an 69 c.Calculations and Results 84 D. Conclusions 91

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Available abstract

Motion Internal Coordinate Hamiltonian and Application to Malonaldehyde 64 A. Calculation of the Reaction Surface 68 B. The Hamil toni an 69 c.Calculations and Results 84 D. Conclusions 91

Key concepts: Polyatomic ion, Computer science, Chemistry, Ion, Organic chemistry

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