Relativistic corrections of the electric field gradient in dihalogen molecules XY ( X , Y = F, Cl, Br, I, At) within the linear response elimination of the small component formalism
Author:
Affiliation:
1. Institute of Modeling and Innovative Technology, IMIT Corrientes Argentina
2. Departamento de Física, Facultad de Ciencias Exactas y Naturales Universidad de Buenos Aires and IFIBA CONICET Buenos Aires Argentina
Funder
Consejo Nacional de Investigaciones Científicas y Técnicas
Fondo para la Investigación Científica y Tecnológica
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26769
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1. Nuclear quadrupole interaction studies by perturbed angular correlations
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3. Nuclear Electric Quadrupole Interactions in Crystals
4. Kernquadrupolfrequenzen in festem Dichlor�thylen
5. Molecular relativistic calculations of the electric field gradients at the nuclei in the hydrogen halides
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1. Electric Field Gradient in Chiral and Tetrahedral Molecules within High-Order LRESC Formalism;The Journal of Physical Chemistry A;2024-05-10
2. High order relativistic corrections on the electric field gradient within the LRESC formalism;The Journal of Chemical Physics;2022-12-28
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