Geometry distortion of the benzene molecule in a strong magnetic field

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The electrostatic Lorentz force acting on the H and C nuclei of a benzene molecule in the presence of a strong magnetic field with flux density B has been estimated via Rayleigh-Schrödinger perturbation theory to second order in B. In stationary conditions, a new equilibrium configuration is reached...

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Detalles Bibliográficos
Autores principales: Caputo, M.C., Lazzeretti, P.
Formato: JOUR
Materias:
ab initio calculations
distortion of molecular geometry
molecular response of benzene to strong magnetic fields
nuclear electric hypershieldings
rotational and translational sum rules
Ab initio calculations
Molecular geometries
Molecular response
Sum rule
Benzene
Calculations
Computational geometry
Lorentz force
Magnetic field effects
Magnetic susceptibility
Molecular structure
Molecules
Perturbation techniques
Quantum chemistry
Magnetism
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00207608_v111_n4_p772_Caputo
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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