Ab initio calculations were performed on the tautomers and conformers of N-hydroxyurea using a 6-31G** basis set. The minimum-energy structures have been found and the importance of the intramolecular hydrogen bond as the stabilizing factor was pointed out. © 1996 John Wiley & Sons, Inc.
La Manna G., Barone G. (1996). The molecular structure of N-hydroxyurea. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 57(5), 971-974 [10.1002/(sici)1097-461x(1996)57:5<971::aid-qua17>3.0.co;2-#].
The molecular structure of N-hydroxyurea
La Manna G.
Membro del Collaboration Group
;Barone G.Membro del Collaboration Group
1996-01-01
Abstract
Ab initio calculations were performed on the tautomers and conformers of N-hydroxyurea using a 6-31G** basis set. The minimum-energy structures have been found and the importance of the intramolecular hydrogen bond as the stabilizing factor was pointed out. © 1996 John Wiley & Sons, Inc.
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