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Journal of Molecular Structure: THEOCHEM

Volumn 528, Issue 1-3, 2000, Pages 199-209

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

(1) Ferraro, M B a

a UNIVERSIDAD DE BUENOS AIRES (Argentina)

Author keywords

Density functional theory; Gauge including atomic orbitals; Nuclear magnetic resonance shielding

Indexed keywords

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;

EID: 0034714082 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(99)00491-1 Document Type: Article

Times cited : (8)

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