Calculation of second-order properties w
β
Frieder Birnstock; Detlev KlΓΆpper
π
Article
π
1973
π
Elsevier Science
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English
β 144 KB
13C-H nuclear spin coupling and 13C shicldine constants ofCH4, CzHe, CzHq, CaH? are calculated by means of the second-order pcrturbatlon theory and MO LCAO wzvefunctions. The aim of this paper is to test the ability of the recently proposed improved virtual orbit& to xc&rate the convergence of the s