Article ; Online: Comparative analysis of electronic, magnetic, catalytic properties of clusters (PS
2023 Volume 29, Issue 12, Page(s) 363
Abstract: Context: The article presents a comparative study of the electronic, magnetic and catalytic properties of CrPS: Methods: In the article, based on topological principles, density functional theory, B3LYP functional and def2-tzvp basis group and ... ...
| Abstract | Context: The article presents a comparative study of the electronic, magnetic and catalytic properties of CrPS Methods: In the article, based on topological principles, density functional theory, B3LYP functional and def2-tzvp basis group and Gaussian16 quantum chemistry software were used to optimise the calculations of the clusters CrPS |
|---|---|
| Language | English |
| Publishing date | 2023-11-07 |
| Publishing country | Germany |
| Document type | Journal Article |
| ZDB-ID | 1284729-X |
| ISSN | 0948-5023 ; 1610-2940 |
| ISSN (online) | 0948-5023 |
| ISSN | 1610-2940 |
| DOI | 10.1007/s00894-023-05774-3 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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