Computational study of urea and its homologue glycinamide : conformations, rotational barriers, and relative interactions with sodium chloride
Conformational behaviors of urea and glycinamide have been investigated using the B3LYP functional with the 6-311+G* and 6-311+G** basis sets. Urea monomers have nonplanar minima at all the levels studied, even in the aqueous phase. In the case of glycinamide, the intramolecular hydrogen bond formed...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 23(2007), 10 vom: 08. Mai, Seite 5406-11 |
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| Format: | Aufsatz |
| Sprache: | English |
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2007
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Ions Sodium Chloride 451W47IQ8X glycine amide 4JDT453NWO Urea 8W8T17847W Glycine |