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- W2046331403 abstract "Abstract The benzene…Ar 2 cluster was studied by constant energy molecular dynamics simulations. Three different types of intermolecular potential were used; two were based on ab initio data, and the third is the standard empirical 6–12 Lennard-Jones potential. The relative populations of the (2|0) and (1|1) isomers, which are almost constant in the temperature interval investigated, amount of 63%:37%, 60%:40% and 61%:39% for the ab initio potentials and Lennard-Jones potential, respectively. The highest temperature at which the cluster can exist for a time interval longer than 1 ns is close to 40 K." @default.
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- W2046331403 date "1994-03-01" @default.
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- W2046331403 title "A molecular dynamics study of the benzene…Ar2 complex. Application of the nonempirical ab initio and empirical Lennard-Jones 6–12 potentials" @default.
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- W2046331403 doi "https://doi.org/10.1016/0009-2614(94)00136-7" @default.
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