RPA MNDO analysis of the dihedral angle dependence of vicinal J(SnSn) and J(SnC) NMR coupling constants
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...
Autores principales: | Peruchenaa, N.M., Sosa, L., Aucar, G.A., Contreras, R.H. |
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Formato: | JOUR |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v330_n1-3_p211_Peruchenaa |
Aporte de: |
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