ロード中...

Determination of the structural, electronic, optoelectronic and thermodynamic properties of the methylxanthine molecules theophylline and theobromine

RHF and DFT (wB97XD and B3LYP) methods with the 6-31++G** basis set have been used to study structural, optoelectronic and thermodynamic properties of Theophylline and Theobromine. Dipole moment, average polarizability, anisotropy, first-order molecular hyperpolarizability, second-order molecular po...

詳細記述

保存先:
書誌詳細
出版年:Opt Quantum Electron
主要な著者: Ejuh, G. W., Ndjaka, J. M. B., Tchangnwa Nya, F., Ndukum, P. L., Fonkem, C., Tadjouteu Assatse, Y., Yossa Kamsi, R. A.
フォーマット: Artigo
言語:Inglês
出版事項: Springer US 2020
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC7603795/
https://ncbi.nlm.nih.gov/pubmed/33162643
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11082-020-02617-w
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!