文献
J-GLOBAL ID:202202224048639061
整理番号:22A0463562
密度汎関数理論計算,分子動力学シミュレーション及び機械学習による種々の位置でのsp=2-ハイブリッド化窒素による効率的な小分子アクセプタの開発【JST・京大機械翻訳】
Developing Efficient Small Molecule Acceptors with sp2-Hybridized Nitrogen at Different Positions by Density Functional Theory Calculations, Molecular Dynamics Simulations and Machine Learning
著者 (3件):
Mahmood Asif
(Department Key Laboratory of Cluster Science of Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, P. R. China)
,
Irfan Ahmad
(Department of Chemistry, College of Science, King Khalid University, Abha, 61413, Saudi Arabia)
,
Wang Jin-Liang
(Department Key Laboratory of Cluster Science of Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, P. R. China)
資料名:
Chemistry - European Journal
(Chemistry - European Journal)
巻:
28
号:
2
ページ:
e202103712
発行年:
2022年
JST資料番号:
W0744A
ISSN:
0947-6539
CODEN:
CEUJED
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
ドイツ (DEU)
言語:
英語 (EN)