Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei

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A theoretical study of the relation between the relativistic formulation of the nuclear magnetic shielding and spin-rotation tensors is presented. To this end a theoretical expression of the relativistic spin-rotation tensor is formulated, considering a molecular Hamiltonian of relativistic electron...

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Detalles Bibliográficos
Autores principales: Aucar, I.A., Gómez, S.S., De Azúa, M.C.R., Giribet, C.G.
Formato: JOUR
Materias:
Born-Oppenheimer
Linear response
Molecular Hamiltonian
Molecular rotations
Nuclear magnetic shieldings
Perturbative expansion
Relativistic effects
Relativistic electron
Small components
Spectral parameters
Spin-rotations
Theoretical expression
Theoretical study
Magnetic shielding
Molecular dynamics
Stereochemistry
Tensors
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v136_n20_p_Aucar
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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