Ab initio MO calculation of hydration energies of ammonium ions and their solvation effect |
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Authors: | Shigeru Ikuta |
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Institution: | Department of Chemistry, Faculty of Science, Tokyo Metropolitan University, Fukasawa, Setagaya-ku, Tokyo 158, Japan |
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Abstract: | The hydration energies for the NH+4 and CH3NH+3 ions were calculated by an ab initio MO method. The aqueous solvation energy difference between these two ions was found to be accounted for by the interactions of the ions with a few solvent molecules. |
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