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Computer simulation of partially diffusion-controlled reactions

✍ Scribed by M.Arturo López-Quintela; M.Carmen Buján-Núñez


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
604 KB
Volume
157
Category
Article
ISSN
0301-0104

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Molecular dynamics simulation of partial
✍ Ami Uwabe; Masakatsu Ueno; Kazuyasu Ibuki 📂 Article 📅 2009 🏛 Elsevier Science 🌐 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