Search results for "N-Hydroxyurea"

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The molecular structure of N-hydroxyurea

1996

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.

Computational chemistryChemistryHydrogen bondAb initio quantum chemistry methodsIntramolecular forceMoleculeN-HydroxyureaPhysical and Theoretical ChemistryCondensed Matter PhysicsConformational isomerismTautomerAtomic and Molecular Physics and OpticsBasis set
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The molecular structure of N-hydroxyurea

1996

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.

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