Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin–Flip Required-Reference-Cited by-同舟云学术

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Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin–Flip Required

Published:2015-05-13 Issue:10 Volume:6 Page:1982-1988
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Mayhall Nicholas J.¹,Head-Gordon Martin¹²

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States

2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Office of Science

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b00733

Reference63 articles.

1. Principles and Applications of Density Functional Theory in Inorganic Chemistry II

2. Magnetic anisotropy barrier for spin tunneling inMn12O12molecules

3. Differences between the four halide ligands, and discussion remarks on trigonal-bipyramidal complexes, on oxidation states, and on diagonal elements of one-electron energy

4. The coordination chemistry of TCNE, TCNQ and related polynitrileπ acceptors

5. Non-innocent behaviour in mononuclear and polynuclear complexes: consequences for redox and electronic spectroscopic properties

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