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- W2347489264 abstract "The molecular electrostatic potentials for the molecules C 70 were calculated at two theoretical levels, i.e., by the Hartree Fock (HF) and B3LYP density functional theory methods using 6 31G * basis set. Comparisons were made between the B3LYP computed results and HF ab initio ones. Compared with the electrostatic potential figures, the effect of fullerene electron correlation have been analyzed." @default.
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- W2347489264 date "2002-01-01" @default.
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- W2347489264 title "Comparative Investigation of the Molecular Electrostatic Potential of C_(70 ) with Density Function Theory and HF Ab initio Methods" @default.
- W2347489264 hasPublicationYear "2002" @default.
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