Integrated spatial electron populations
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John B. Collins; Andrew Streitwieser Jr
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Article
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1980
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John Wiley and Sons
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English
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The electron projection function P(r, z ) = S p b , y, Z) dy is used to evaluate charge transfer and covalency in two series of molecules, LiX and CH3X (X = Li, BeH, BH2, CH3, NH2, OH, and F), with wavefunctions derived from STO-3G, 4-31G, and, in some cases, 6-31\* ab initio calculations. The preci