Calculation of the EPR g-tensor from auxiliary density functional theory-Reference-Cited by-同舟云学术

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Calculation of the EPR g-tensor from auxiliary density functional theory

Published:2020-01-07 Issue:1 Volume:152 Page:014105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Zuniga-Gutierrez Bernardo¹^ORCID,Medel-Juarez Victor¹^ORCID,Varona Andres²,González Ramírez Henry Nicole¹^ORCID,Flores-Moreno Roberto¹^ORCID

Affiliation:

1. Departamento de Química, Universidad de Guadalajara, CUCEI, Blvd. Marcelino García Barragán 1421, C. P. 44430 Guadalajara, Jalisco, Mexico

2. Departamento de Electrónica, Universidad de Guadalajara, CUCEI, Blvd. Marcelino García Barragán 1421, C. P. 44430 Guadalajara, Jalisco, Mexico

Funder

Consejo Nacional de Ciencia y Tecnología

Secretarí de Educación Pública

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5130174

Reference90 articles.

1. Biomedical applications of electron paramagnetic resonance (EPR) spectroscopy

2. The Amyloid-β Peptide of Alzheimer’s Disease Binds CuIin a Linear Bis-His Coordination Environment: Insight into a Possible Neuroprotective Mechanism for the Amyloid-β Peptide

3. Methods and Applications of Site-Directed Spin Labeling EPR Spectroscopy

4. Main Group Effective Nuclear Charges for Spin-Orbit Calculations

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1. Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory;Journal of Molecular Modeling;2024-08-08

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