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Exercise 8.4 Atomic Charge Analysis

This exercise will examine other ways of computing charges other than Mulliken population analysis. Since atomic charge is not a quantum mechanical observable, all methods for computing it are necessarily arbitrary. We ll explore the relative merits of various schemes for partitioning the electron density among the atoms in a molecular system. [Pg.194]


See other pages where Exercise 8.4 Atomic Charge Analysis is mentioned: [Pg.124]    [Pg.124]    [Pg.20]    [Pg.20]    [Pg.37]    [Pg.133]    [Pg.175]    [Pg.43]    [Pg.49]    [Pg.10]   


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