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The earliest and continuing successful application of quantum chemical methods has been to properties of a single molecule, such as the ideal gas heats of formation, bond energies, spectral frequencies, heat capacities and other energy properties. Heats of formation can now be calculated to what is referred to as a chemical accuracy of 2 kcal mol", but with considerable effort. However, much of the... [Pg.43]

See other pages where Heat of formation bond energies is mentioned: [Pg.606] [Pg.2] [Pg.607] [Pg.43]