B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations

Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.

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Detalles Bibliográficos
Autor principal:	Ferraro, Marta Beatriz
Publicado:	2000
Materias:	Density functional theory Gauge-including-atomic-orbitals Nuclear magnetic resonance shielding carbon carbon 13 hydrogen nitrogen urea derivative article calculation carbon nuclear magnetic resonance chemical bond chemical structure density geometry proton nuclear magnetic resonance structure analysis theory
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v528_n1-3_p199_Ferraro http://hdl.handle.net/20.500.12110/paper_01661280_v528_n1-3_p199_Ferraro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_01661280_v528_n1-3_p199_Ferraro
record_format	dspace
spelling	paper:paper_01661280_v528_n1-3_p199_Ferraro2023-06-08T15:15:20Z B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations Ferraro, Marta Beatriz Density functional theory Gauge-including-atomic-orbitals Nuclear magnetic resonance shielding carbon carbon 13 hydrogen nitrogen urea derivative article calculation carbon nuclear magnetic resonance chemical bond chemical structure density geometry proton nuclear magnetic resonance structure analysis theory Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2000 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v528_n1-3_p199_Ferraro http://hdl.handle.net/20.500.12110/paper_01661280_v528_n1-3_p199_Ferraro
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Density functional theory Gauge-including-atomic-orbitals Nuclear magnetic resonance shielding carbon carbon 13 hydrogen nitrogen urea derivative article calculation carbon nuclear magnetic resonance chemical bond chemical structure density geometry proton nuclear magnetic resonance structure analysis theory
spellingShingle	Density functional theory Gauge-including-atomic-orbitals Nuclear magnetic resonance shielding carbon carbon 13 hydrogen nitrogen urea derivative article calculation carbon nuclear magnetic resonance chemical bond chemical structure density geometry proton nuclear magnetic resonance structure analysis theory Ferraro, Marta Beatriz B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
topic_facet	Density functional theory Gauge-including-atomic-orbitals Nuclear magnetic resonance shielding carbon carbon 13 hydrogen nitrogen urea derivative article calculation carbon nuclear magnetic resonance chemical bond chemical structure density geometry proton nuclear magnetic resonance structure analysis theory
description	Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
author	Ferraro, Marta Beatriz
author_facet	Ferraro, Marta Beatriz
author_sort	Ferraro, Marta Beatriz
title	B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
title_short	B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
title_full	B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
title_fullStr	B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
title_full_unstemmed	B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations
title_sort	b3lyp density functional calculations of 1h and 13c nuclear shielding constants of some unsymmetric n, n'-dipyridyl ureas and a further insight into their molecular conformations
publishDate	2000
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v528_n1-3_p199_Ferraro http://hdl.handle.net/20.500.12110/paper_01661280_v528_n1-3_p199_Ferraro
work_keys_str_mv	AT ferraromartabeatriz b3lypdensityfunctionalcalculationsof1hand13cnuclearshieldingconstantsofsomeunsymmetricnndipyridylureasandafurtherinsightintotheirmolecularconformations
_version_	1768544313222889472

B3LYP density functional calculations of 1H and 13C nuclear shielding constants of some unsymmetric N, N'-dipyridyl ureas and a further insight into their molecular conformations

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