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- W2061069195 abstract "A quantum-chemical study on single-ion conducting electrolytes based on lithium aluminate salts is presented. Geometry optimizations for salts and corresponding anions have been performed. Stabilization energies for Li+ complexed at aluminate anions have been calculated. Information about Li+ coordination changes has been obtained from Born–Oppenheimer Molecular Dynamics simulations. Complexation energies for lithium cation have been shown to correlate with experimental conductivity values [T. Fujinami, Y. Buzoujima, J. Power Sources 119–121 (2003) 438]." @default.
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- W2061069195 date "2009-06-25" @default.
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- W2061069195 title "A quantum-chemical study on ion complexation in polymer electrolytes containing lithium aluminate salts" @default.
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- W2061069195 doi "https://doi.org/10.1016/j.ssi.2009.03.013" @default.
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