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- W2004394019 abstract "The two-center core-electron attraction integral VAB in zero-differential overlap semiempirical MO methods is examined. It is concluded that core-valence orthogonality and valence symmetrical orthogonalization effects must be considered, and that these effects provide justification for the CNDO/2 approximation VAB = ZBγAB." @default.
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- W2004394019 date "1974-03-01" @default.
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- W2004394019 title "Potential energy integrals in semiempirical MO methods" @default.
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- W2004394019 doi "https://doi.org/10.1002/qua.560080213" @default.
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