RPA MNDO analysis of the dihedral angle dependence of vicinal J(SnSn) and J(SnC) NMR coupling constants

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Vicinal J(SnCCSn) and J(SnCCC) spin-spin coupling constants are calculated within the RPA MNDO method for different dihedral angles, θ, determined by the intervening bonds, in model compounds. For both types of couplings, calculated values closely follow Karplus-like dependences. Results are discuss...

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Detalles Bibliográficos
Autores principales: Peruchenaa, N.M., Sosa, L., Aucar, G.A., Contreras, R.H.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01661280_v330_n1-3_p211_Peruchenaa
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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