C3 - Mα bond contribution to polarizability tensor and 3J(C1Mα) NMR coupling constant in 1-X-3-M-bicyclo[1.1.1]pentanes

Journal of Computational Chemistry

Volumn 19, Issue 2, 1998, Pages 181-188

  Giribet, C G ^a,c   Ruiz De Azua M C ^a,c   Gomez S B ^a,c   Botek, E L ^a,d   Contreras, R H ^a,c   Adcock, W ^b   Della, E W ^b   Krstic, A R ^b   Lochert, I J ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b FLINDERS UNIVERSITY   (Australia)

^c Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^d SECyT ^*

Author keywords

Bicyclo 1.1.1 pentanes; Bond polarizabilities; CLOPPA IPPP; Localized orbitals; NMR coupling constants

Indexed keywords

EID: 0001000087     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980130)19:2<181::AID-JCC10>3.0.CO;2-L     Document Type: Article

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