期刊论文详细信息
Frontiers in Chemistry | |
Editorial: Fragment-based electronic structure methods for solids | |
Chemistry | |
Oleksandr Loboda1  Peter Strizhak2  Ctirad Cervinka3  Robert W. Góra4  | |
[1]AC2T research GmbH, Wiener Neustadt, Austria | |
[2]L.V. Pysarzhevskii Institute of Physical Chemistry, National Academy of Science of Ukraine, Kyiv, Ukraine | |
[3]University of Chemistry and Technology, Prague, Czechia | |
[4]Wrocław University of Science and Technology, Wrocław, Poland | |
关键词: DFT; GIPAW; NMR; fragment approach; embedding models; molecular crystals; ionic solids; | |
DOI : 10.3389/fchem.2023.1165201 | |
received in 2023-02-13, accepted in 2023-02-16, 发布年份 2023 | |
来源: Frontiers | |
【 摘 要 】
【 授权许可】
Unknown
Copyright © 2023 Loboda, Strizhak, Góra and Cervinka.
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
RO202310107440557ZK.pdf | 527KB | download |