6533b859fe1ef96bd12b8772

RESEARCH PRODUCT

The molecular structure of N-hydroxyurea

La Manna G.Barone G.

subject

Settore CHIM/03 - Chimica Generale E Inorganicaab initio calculationsmolecular structureN-hydroxyurea

description

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.

10.1002/(sici)1097-461x(1996)57:5http://hdl.handle.net/10447/513806