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Partial equalisation of orbital electronegativity

Gasteiger J, Marsili M. Iterative partial equalisation of orbital electronegativity a rapid access to atomic charges. Tetrahedron 1980 36 3219-3228. [Pg.536]

The Gasteiger-Marsili approach uses the concept of the partial equalisation of orbital electronegativity. Electronegativity is a concept well known to chemists, being defined by Pauling as the power of an atom to attract electrons to itself. Mulliken subsequently defined the electronegativity of an atom A as the average of its ionisation potential and its electron affinity E ... [Pg.192]

Gasteiger, J., Marsili, M. Iterative Partial Equalisation of Orbital Electronegativity A Rapid Access to Atomic Charges . Tetrahedron 1980, 36, 3219-3228. [Pg.359]




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Orbital electronegativity

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