作者: Djebar Hadji , Ali Rahmouni , Dalila Hammoutène , Ouardia Zekri
DOI: 10.1016/J.MOLLIQ.2019.110939
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摘要: … and density functional theory (DFT) to evaluate the effects of the basis sets, functionals and … In this study, we are interested in properties like dipole moment μ, polarizability α and static …