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Formal charge (Read 2469 times)
Gerrit-Jan Linker
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Formal charge
04.06.10 at 08:46:30
Formal charge
A formal charge (FC) is the charge assigned to an atom in a molecule, assuming that electrons in a chemical bond are shared equally between atoms, regardless of relative electronegativity.
    FC = V - N - B/2
V is the number of valence electrons of the atom in isolation (atom in ground state);  
N is the number of non-bonding electrons on this atom in the molecule;  
B is the total number of electrons shared in covalent bonds with other atoms in the molecule.
See also:
Mulliken population analysis
Hirsfeld charges
Voronoi charge
Multipole derived charges
Loprop method
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Gerrit-Jan Linker
Linker IT Software
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