Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes-Reference-Cited by-同舟云学术

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Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes

Published:2023-08-15 Issue:17 Volume:19 Page:5760-5772
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fitzhugh Henry C.¹^ORCID,Furness James W.¹^ORCID,Pederson Mark R.²,Peralta Juan E.³,Sun Jianwei¹^ORCID

Affiliation:

1. Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118, United States

2. Department of Physics, The University of Texas at El Paso, El Paso, Texas 79968, United States

3. Department of Physics and Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00336

Reference133 articles.

1. Single-Molecule Magnets

2. Single molecule magnets: from thin films to nano-patterns

3. Operating Quantum States in Single Magnetic Molecules: Implementation of Grover’s Quantum Algorithm

4. Room temperature memory device using single-molecule magnets

5. Molecular Magnets

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2. Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems;Inorganic Chemistry;2024-07-08

3. Controlling Spin Crossover in a Family of Dinuclear Fe(III) Complexes via the Bis(catecholate) Bridging Ligand;Inorganic Chemistry;2023-09-11

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