Quantum and quasi-classical dynamics of the C(³P) + O₂(³Σ−g) → CO(¹Σ⁺) + O(¹D) reaction on its electronic ground state

Sugata Goswami,Juan Carlos San Vicente Veliz,Meenu Upadhyay,Raymond J. Bemish,Markus Meuwly

Physical Chemistry Chemical Physics（2022）

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摘要

The dynamics of the C( 3 P) + O 2 ( 3 Σ−g) → CO( 1 Σ + ) + O( 1 D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical trajectory (QCT) simulations.

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关键词

electronic ground state,quantum,dynamics,quasi-classical

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Quantum and quasi-classical dynamics of the C(3P) + O2(3Σ−g) → CO(1Σ+) + O(1D) reaction on its electronic ground state

Quantum and quasi-classical dynamics of the C(³P) + O₂(³Σ−g) → CO(¹Σ⁺) + O(¹D) reaction on its electronic ground state