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85087252202
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note
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Ar dihedral angle to match the structurally determined angles in 9a or 9b affords even smaller contributions of the lone pairs to the π-system.
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47
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11744313709
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note
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By oxygen "lone-pair" we mean orbitals with a significant contribution (>30%) of the oxygen atomic orbitals.
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2 complexes: BUWHEG, BYRUMP, CMRUMP, FALKEY, FUBNOF, GAPZEB, GAPZIF, KATGOB, KOFYEK, LASGER, LESTOS, LIFSUO, PILHIB, ZESSAR.
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