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- W2060299565 abstract "A population analysis scheme is derived especially for floating spherical gaussian orbital (FSGO) wavefunctions. The overlap populations are redistributed into the basis FSGO's in such a way that the total charge and dipole moment of the system are preserved. The small set of point charges generated by this population analysis should provide a rapid and convenient way to calculate (i) coulombic potential surfaces outside the molecule and (ii) coulombic intermolecular interaction energies." @default.
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- W2060299565 title "Derivation of a total charge and dipole moment-preserving population analysis for FSGO wavefunctions" @default.
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- W2060299565 doi "https://doi.org/10.1016/0009-2614(75)85040-8" @default.
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