Molecular dynamics simulation of partial
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Ami Uwabe; Masakatsu Ueno; Kazuyasu Ibuki
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Article
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2009
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Elsevier Science
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English
⚖ 360 KB
Molecular dynamics simulations were performed for model partially diffusion-controlled reactions between mono-and diatomic molecules at liquid density with energetical and geometrical restrictions on the reactivity. Since the reorientational motion of the diatomic molecule was fast, a spherical reac