Ab initio IPPP-CLOPPA approach to perform bond contribution analysis of NMR coupling constants: 1J(NH) in NH3 as a function of pyramidality

Journal of Molecular Structure: THEOCHEM

Volumn 433, Issue 1-3, 1998, Pages 141-150

  Ruiz De Azua M C ^a   Giribet, C G ^a   Vizioli, C V ^a   Contreras, R H ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

Bond contributions; IPPP CLOPPA; NMR coupling constants; Pyramidality

Indexed keywords

EID: 0000179144     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00020-7     Document Type: Article

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