Abstract
An ab initio study of the irregular ordering of the basicity of methylamines in aqueous solution has been done. The calculations have been carried out with the STO-3G basis set in the framework of the supermolecule model. The results obtained show that the number and strength of hydrogen bonds play an important role in the explanation of the experimental facts. © 1984.
Original language | English |
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Pages (from-to) | 15-21 |
Journal | Journal of Molecular Structure: THEOCHEM |
Volume | 110 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 1 Jan 1984 |