Rationalization of the anomalous 1H NMR chemical shifts in 1,3-diheterocyclohexanes

Journal of Molecular Structure: THEOCHEM

Volumn 418, Issue 2-3 SPEC. ISS., 1997, Pages 231-241

  Cuevas, Gabriel ^a   Juaristi, Eusebio ^b   Vela, Alberto ^c  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b DEPARTAMENTO DE FÍSICA   (Mexico)

^c UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

Author keywords

1,3 dioxane; 1,3 dithianes; 1,3 oxathiane; Ab initio density functional theory; Chemical shift calculations; Perlin effects; Stereoelectronic effects

Indexed keywords

EID: 0000506913     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)05016-6     Document Type: Article

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