A theoretical study of medium effects on the transmission mechanisms of the fermi contact term of spin–spin coupling constants in the acetamide molecule
Solvent effects on different transmission mechanisms of spin–spin coupling constants are analyzed from a theoretical viewpoint. Medium effects are introduced using the solvaton model, and the decomposition of coupling constants in σ‐ and π‐electron transmitted components is accomplished with the PRM...
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Autores principales: | Facelli, J.C., Giribet, C.G., Contreras, R.H. |
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Formato: | JOUR |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00207608_v25_n3_p515_Facelli |
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