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Hydrogen bonding complex energy levels method

For the hydrogen bonded complexes (FH)2, (HC1)2, (H20)2, FH-CO, FH -OC, FH -NH3, CIH- NH3, OH2-NH3, and H30+—H20, with binding energies ranging from 1.7 kcal/mol (FH-CO) to 32.9 kcal/mol (H30+—H20), Tuma, Boese, and Handy, 1999, compared results of several density functional methods with high level conventional wave function based data. With the exception of the HCTH functional, all functionals were found to over-... [Pg.247]


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Complex energy

Complex method

Complexation, hydrogen bonding

Energy methods

Hydrogen bond energy

Hydrogen bonding bond energies

Hydrogen bonding energies

Hydrogen complexes

Hydrogen energy

Hydrogen energy levels

Hydrogen methods

Hydrogen-bonded complexes

Hydrogen-bonding complexes

Hydrogenation Methods

Hydrogenation complexes

Hydrogenation energies

Level method

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