A partitioning scheme based on the use of density and overlap matrixes of allocating
the electrons of a molecular entity in some fractional manner among its various parts
(atoms, bonds, orbitals). As with other schemes of partitioning the electron density
in molecules, MPA
is arbitrary and strongly dependent on the particular basis set
employed. However, comparison of population analyses for a series of molecules is
useful for a quantitative description of intra-molecular interactions, chemical reactivity
and structural regularities.
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook