NMR nuclear magnetic shielding anisotropy of linear molecules within the linear response within the elimination of the small component approach

The influence of the spin-Zeeman (SZ) operator in the evaluation of the spin-orbit effect on the nuclear magnetic shielding tensor in the context of the linear response within the elimination of the small component approach is critically discussed. It is shown that such term yields no contribution t...

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Detalles Bibliográficos
Autores principales: Ruiz De Aza, M.C., Giribet, C.G., Melo, J.I.
Formato: JOUR
Materias:
Hartree-Fock approach
Linear molecules
Linear response
Nuclear magnetic shieldings
Numerical example
Shielding tensors
Small components
Spin-orbit effects
Tensor components
Zeeman contribution
Magnetic anisotropy
Molecules
Nuclear magnetic resonance
Tensors
Magnetic shielding
bromine
fluoride
hydrogen
iodine
xenon
anisotropy
article
chemistry
magnetism
nuclear magnetic resonance spectroscopy
quantum theory
Anisotropy
Bromine
Fluorides
Hydrogen
Iodine
Magnetic Resonance Spectroscopy
Magnetics
Quantum Theory
Xenon
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v134_n3_p_RuizDeAza
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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