Unraveling the Spin-State Energetics of FeN<sub>4</sub> Complexes with Ab Initio Methods-Reference-Cited by-同舟云学术

Unraveling the Spin-State Energetics of FeN₄ Complexes with Ab Initio Methods

Published:2023-08-31 Issue:36 Volume:127 Page:7544-7556
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Phung Quan Manh¹²^ORCID,Nam Ho Ngoc³^ORCID,Saitow Masaaki¹^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602, Japan

2. Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8602, Japan

3. Institute of Materials Innovation, Institutes of Innovation for Future Society, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8601, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c04254

Reference116 articles.

1. Heme Protein Assemblies

2. Phthalocyanines: From outstanding electronic properties to emerging applications

3. Heme Enzyme Structure and Function

4. Ab Initio Methods in First‐Row Transition Metal Chemistry

5. Multireference Approaches to Spin‐State Energetics of Transition Metal Complexes Utilizing the Density Matrix Renormalization Group

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