The influence of relativistic effects on nuclear magnetic resonance spin–spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2

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Relativistic and nonrelativistic calculations have been performed on hydrogen peroxide, dihydrogen disulfide, dihydrogen diselenide, and dihydrogen ditelluride, H2X2 (X = O, S, Se, Te), to investigate the consequences of relativistic effects on their structures as well as their nuclear magnetic reso...

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Detalles Bibliográficos
Autores principales: Pagola, G.I., Larsen, M.A.B., Ferraro, M., Sauer, S.P.A.
Formato: JOUR
Materias:
Chiral discrimination
Electric dipole polarizability of nuclear spin-spin coupling
Nuclear magnetic resonance spectroscopy
Relativistic effects
spin-spin coupling constant
Density functional theory
Magnetism
Nuclear magnetic resonance
Polarization
Relativity
Selenium compounds
Spin dynamics
Stereochemistry
Sulfur compounds
Tellurium compounds
Tensors
Exchange-correlation functionals
Nonrelativistic calculations
Nuclear Magnetic Resonance (NMR)
Nuclear spins
Relativistic calculations
Spin-spin coupling constants
Electron spin resonance spectroscopy
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01928651_v39_n31_p2589_Pagola
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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