ロード中...
Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings
Transition metal silicides are promising materials for improved electronic devices, and this motivates achieving a better understanding of transition metal bonds to silicon. Here we model the ground and excited state bond dissociations of VSi, NbSi, and TaSi using a complete active space (CAS) wave...
保存先:
| 出版年: | Molecules |
|---|---|
| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
MDPI
2021
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8152470/ https://ncbi.nlm.nih.gov/pubmed/34068045 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26102881 |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|