Thomas-Reiche-Khun populations in X-CH3 and X-C2H5 series of molecules
Calculations of nuclear electric shieldings, equivalent to dipole moment geometric derivatives, and related to atomic polar tensors, are presented for X-CH3 and X-C2H5 molecules with X = NH2, OH and F. The electric shielding tensors satisfy a constraint for the electrostatic equilibrium, i.e., the m...
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| Autores principales: | Zitto, M.E., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. |
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| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03010104_v259_n1_p1_Zitto |
| Aporte de: |
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