Localized molecular orbitals and electronic structure of Buckminsterfullerene
作者： Dennis S. Marynick , S. Estreicher
DOI: 10.1016/0009-2614(86)80630-3
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摘要: Abstract The method of PRDDO is employed to calculate the optimized geometry, energy formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C 60 ).
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