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, M.B.
Formato:	JOUR
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:	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	todo:paper_01661280_v528_n1-3_p199_Ferraro
record_format	dspace
spelling	todo:paper_01661280_v528_n1-3_p199_Ferraro2023-10-03T15:03:27Z 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, M.B. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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, M.B. 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.
format	JOUR
author	Ferraro, M.B.
author_facet	Ferraro, M.B.
author_sort	Ferraro, M.B.
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
url	http://hdl.handle.net/20.500.12110/paper_01661280_v528_n1-3_p199_Ferraro
work_keys_str_mv	AT ferraromb b3lypdensityfunctionalcalculationsof1hand13cnuclearshieldingconstantsofsomeunsymmetricnndipyridylureasandafurtherinsightintotheirmolecularconformations
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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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