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Huangruii Mo

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Articles

Theoretical Studies on Lennard-Jones Parameters of Benzene and Polycyclic Aromatics Hydrocarbons

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By Xiaoqing You, Ying Li, Huangruii Mo, Yuxin Gui
| Royal Society of Chemistry Verified
Theoretical Studies on Lennard-Jones Parameters of Benzene and Polycyclic Aromatics Hydrocarbons Xiaoqing You, Ying Li, Huangruii Mo and Yuxin Gui Abstract Lennard-Jones (L-J) parameters, i.e. collision diameter and well depth, of benzene and polycyclic aromatic hydrocarbons (PAHs) interacting with bath gases helium and nitrogen are studied theoretically in this work. The results of three different computing methods, called SA, -ε, η-ξ methods respectively, are compared with literature data.
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