ロード中...

Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants

The reliable prediction of Cu(II) hyperfine coupling constants remains a challenge for quantum chemistry. Until recently only density functional theory (DFT) could target this property for systems of realistic size. However, wave function based methods become increasingly applicable. In the present...

詳細記述

保存先:
書誌詳細
出版年:Chemphyschem
主要な著者: Gómez‐Piñeiro, Rogelio J., Pantazis, Dimitrios A., Orio, Maylis
フォーマット: Artigo
言語:Inglês
出版事項: John Wiley and Sons Inc. 2020
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC7756273/
https://ncbi.nlm.nih.gov/pubmed/33201578
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cphc.202000649
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!