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Effect of temperature on the adsorption of sulfanilamide onto aluminum oxide and its molecular dynamics simulations

✍ Scribed by Ji, Ying-xue; Wang, Feng-he; Duan, Lun-chao; Zhang, Fan; Gong, Xue-dong

Book ID
121251931
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
976 KB
Volume
285
Category
Article
ISSN
0169-4332

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We have investigated a molecular dynamics procedure for simulating the temperature-dependent behavior of three face-centered-cubic metals: aluminum, copper, and platinum. A potential due to Cai and Ye, which includes both pairwise additive and multibody terms, was used in conjunction with the CHARMM