Velocity map images from surface-hopping; reactive scattering of OH (2Σ+) + H2 (1Σ+g).

CHEMICAL COMMUNICATIONS(2022)

引用 0|浏览1
暂无评分
摘要
We study OH(Σ) + H2 → H2O(X) + H reactive scattering using two potential energy models found in the literature. We analyze the quenching channels and generate velocity map images (VMI) by simulating quantum-classical trajectories of the quenched products. The initial conditions attempt to simulate supersonic jet, molecular beam scattering experiments which we compare against. The simulated results are able to elucidate the mechanisms behind some of these experimental observations.
更多
查看译文
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要