Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory-Reference-Cited by-同舟云学术

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Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory

Published:2022 Issue:4 Volume:21 Page:77-79
ISSN:1347-1767
Container-title:Journal of Computer Chemistry, Japan
language:en
Short-container-title:J. Comput. Chem. Jpn.

Author:

HORI Yuta¹,SATO Ayaka²,SHIGETA Yasuteru¹

Affiliation:

1. Center for Computational Sciences, University of Tsukuba, 1–1–1 Tennodai, Tsukuba, Ibaraki 305–8577, Japan

2. Master's Program in Physics, Degree Programs in Pure and Applied Sciences, Graduate School of Science and Technology, University of Tsukuba, 1–1–1 Tennodai, Tsukuba, Ibaraki 305–8577, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Society of Computer Chemistry Japan

Subject

General Medicine

Link

https://www.jstage.jst.go.jp/article/jccj/21/4/21_2023-0008/_pdf

Reference7 articles.

1. [1] Y. Hirano, K. Takeda, K. Miki, Nature, 534, 281 (2016). doi:10.1038/nature18001 PMID:27279229

2. [2] A. Dey, C. L. Roche, M. A. Walters, K. O. Hodgson, B. Hedman, E. I. Solomon, Inorg. Chem., 44, 8349 (2005). doi:10.1021/ic050981m PMID:16270973

3. [3] A. Sato, Y. Hori, Y. Shigeta, Inorg. Chem., 62, 2040 (2023). doi:10.1021/acs.inorgchem.2c03617 PMID:36695190

4. [4]Gaussian 16, Revision C.01, M. J. Frisch et al., Gaussian, Inc., Wallingford CT, 2016.

5. [5] NBO 7.0. E. D. Glendening et al., Theoretical Chemistry Institute, University of Wisconsin, Madison, WI (2018).

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