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- W2312399095 abstract "Structures and energies of the parent hexa-, hepta-, and octacoordinate alonium ions AlH6+, AlH72+, and AlH83+, respectively, were calculated at the ab initio MP2/6-31G** and QCISD(T)/6-311G** levels. The C2v symmetrical 4, C3v symmetrical 7, and Td symmetrical 10 were found to be the energy-minimum structures of AlH6+, AlH72+, and AlH83+, respectively. The related structures of AlH4+ (6), AlH52+ (9), and AlH63+ (11) were also calculated at the ab initio MP2/6-31G** level. Formation of AlH6+ by protonation of AlH5 was found to be strongly exothermic by 181.0 kcal/mol. The protonation of AlH3 to AlH4+ (6) is also highly exothermic by 176.4 kcal/mol." @default.
- W2312399095 created "2016-06-24" @default.
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- W2312399095 date "1998-03-27" @default.
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- W2312399095 title "Structures and Energies of Hexa-, Hepta-, and Octacoordinate Alonium Ions AlH<sub>6</sub><sup>+</sup>, AlH<sub>7</sub><sup>2+</sup>, and AlH<sub>8</sub><sup>3+</sup> and Related AlH<sub>4</sub><sup>+</sup>, AlH<sub>5</sub><sup>2+</sup>, and AlH<sub>6</sub><sup>3+</sup> Ions<sup>1</sup>" @default.
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- W2312399095 doi "https://doi.org/10.1021/ic9614982" @default.
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