Cluster：Theoretical Study on the Paramagnetic Properties of Cluster CrPS4
In order to explore the paramagnetic properties of CrPS4 at a temperature of 298.15K, and to contribute theoretical basis for subsequent research and applications. The article is based on density functional theory, using B3LYP functional and def2-tzvp basis set, using Gaussian09 quantum chemistry...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Harbin University of Science and Technology Publications
2023-04-01
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| Series: | Journal of Harbin University of Science and Technology |
| Subjects: | |
| Online Access: | https://hlgxb.hrbust.edu.cn/#/digest?ArticleID=2207 |
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