Average atomic charge

Other molecular descriptors derived from the charge density matrix are the average atom charge density Pi and the average bond charge density P2, defined as ... 

Table 19.4 Computed average atomic charges on the dopant atoms in relaxed amorphous and crystalline phases of Cu, Ag, and Au doped Ge2Sb2Te5. The charges are in the unit of e...

An extended set of physicochemical descriptors was used in this study, including, for example, partial atomic charge and effective polari2 ability of the protons, average of electronegativities of atoms two bonds away, or maximum, T-atomic charge of atoms two bonds away. 

Au-Cu and Au-Ag alloys Isomer shift and electrical resistivity as function of alloy composition and, in CU3AU, of pressure model to describe 5 in terms of average atomic volume, of short-range parameter and alloy composition average charge density on Au... 

Table 4.32. Average bond lengths ptF, incremental F binding energies A E(+F ), and platinum atomic charge Qnfor PtF (6 ")+ complexes (see Fig. 4.49)...

Average atomic mass Common ion charge Other ion charges... 

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