Calculation of the electric hypershielding at the nuclei of molecules in a strong magnetic field

The third-rank electric hypershielding at the nuclei of 14 small molecules has been evaluated at the Hartree-Fock level of accuracy, by a pointwise procedure for the geometrical derivatives of magnetic susceptibilities and by a straightforward use of its definition within the Rayleigh-Schrödinger pe...

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Detalles Bibliográficos
Autores principales:	Caputo, M.C., Ferraro, M.B., Pagola, G.I., Lazzeretti, P.
Formato:	JOUR
Materias:	Electric properties Geometrical optics Magnetic fields Magnetic susceptibility Molecular orientation Perturbation techniques Electric hypershielding Hartree-Fock level Homonuclear diatomics Molecular geometry Molecular structure
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00219606_v126_n15_p_Caputo
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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