Detailed magnetic analysis and successful deep-neural-network-based conformational prediction for [VO(dmso)5][BPh4]2-Reference-Cited by-同舟云学术

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Detailed magnetic analysis and successful deep-neural-network-based conformational prediction for [VO(dmso)5][BPh4]2

Published:2020 Issue:16 Volume:10 Page:9678-9685
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sakiyama Hiroshi¹²³⁴⁵^ORCID,Abiko Takaaki¹²³⁴⁵,Yoshida Kosuke¹²³⁴⁵,Shomura Kaoru¹²³⁴⁵,Mitsuhashi Ryoji⁶⁷⁸⁵^ORCID,Koyama Yoshiki⁹¹⁰¹¹¹²⁵,Mikuriya Masahiro⁹¹⁰¹¹¹²⁵^ORCID,Koikawa Masayuki¹³¹⁴¹⁵¹⁶⁵^ORCID,Mitsumi Minoru¹⁷¹⁸¹⁹⁵^ORCID

Affiliation:

1. Department of Science

2. Faculty of Science

3. Yamagata University

4. Yamagata 990-8560

5. Japan

6. Institute of Liberal Arts and Science

7. Kanazawa University

8. Kanazawa 920-1192

9. Department of Applied Chemistry for Environment

10. School of Science and Technology

11. Kwansei Gakuin University

12. Sanda 669-1337

13. Department of Chemistry and Applied Chemistry

14. Graduate School of Science and Engineering

15. Saga University

16. Saga

17. Department of Chemistry

18. Okayama University of Science

19. Okayama

Abstract

The conformer in the crystal was successfully predicted by a deep neural network method.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA00854K

Reference30 articles.

1. The magnetic properties of transition metal ions in asymmetric ligand fields. Part 2.—Cubic field3T2terms.

2. The magnetic behaviour of cubic field 3 T 1g terms

3. The magnetic behaviour of cubic field 5T2g terms in lower symmetry

4. The magnetic behaviour of cubic-field 4 T 1g terms in lower symmetry

5. F. E.Mabbs and D. J.Machin , Magnetism and Transition Metal Complexes , Chapman and Hall , 1973

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1. Relationship between Structure and Zero-Field Splitting of Octahedral Nickel(II) Complexes with a Low-Symmetric Tetradentate Ligand;Magnetochemistry;2024-04-24

2. Crystal Structures and Magnetic Properties of Diaquatetrapyridinenickel(II) and Diaquatetrapyridinecobalt(II) Complexes;Magnetochemistry;2022-12-30

3. Predicting conformers of flexible metal complexes using deep neural network;Computational and Data-Driven Chemistry Using Artificial Intelligence;2022

4. Structural prediction for square-planar [M(dmf)4] type and octahedral cis/trans-[MX2(dmf)4] type complexes on the basis of group theory method;Journal of Molecular Structure;2021-04

5. Crystal structure, magnetic properties, and structural prediction for an oxidovanadium(IV) complex [VO(dmf)5][PF6]2;Journal of Coordination Chemistry;2021-03-04

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