Orbital contributions to relativistic corrections of the NMR nuclear magnetic shielding tensor originated in scalar field-dependent operators

In this work relativistic corrections to the magnetic shielding constant (σM), which arise from scalar field-dependent operators (both linear and bilinear), are calculated and decomposed into contributions from molecular orbitals (MOs). Numerical results for the magnetic shielding constant of the he...

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Detalles Bibliográficos
Autores principales:	Ruiz De Azúa, M.C., Melo, J.I., Giribet, C.G.
Formato:	JOUR
Materias:	Atomic physics Electrons Magnetic shielding Mathematical operators Molecular orientation Nuclear magnetic resonance spectroscopy Perturbation techniques Quantum theory Tensors Heavy nucleus Scalar field dependent operators Valence electrons Relativity
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00268976_v101_n20_p3103_RuizDeAzua
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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