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85033901464
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6h), optimized with three different methods. MNDO: R(C-C) = 1.463 Å R(Li-Li) = 3.011 Å R(C-Li) = 1.891 Å PM3: R(C-C) = 1.415 Å R(Li-Li) = 3.101 Å R(C-Li) = 2.004 Å SCF/TZP[26a] R(C-C) = 1.415 Å R(Li-Li) = 3.018 Å R(C-Li) = 1.927 Å
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(d) The basis set STO-3G*+ involves the basic set STO-3G extended with polarization (d for Li and C) and diffuse functions (sp for Li and C) [27a]
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