文献
J-GLOBAL ID:201902283804798490
整理番号:19A0660106
拡張多参照計算における局所Electron相関処理 多環芳香族炭化水素ヘプタゼトレンのビラジカル特性に及ぼすアクセプタ-ドナー置換基の影響【JST・京大機械翻訳】
Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene
著者 (9件):
Das Anita
(School of Pharmaceutical Sciences and Technology, Tianjin University, P.R. China)
,
Das Anita
(Department of Chemistry and Biochemistry, Texas Tech University, Texas, United States)
,
Mueller Thomas
(Institute for Advanced Simulation, Juelich Supercomputing Centre, Juelich, Germany)
,
Plasser Felix
(Institute for Theoretical Chemistry, University of Vienna, Austria)
,
Krisiloff David B.
(Department of Chemistry, Princeton University, New Jersey, United States)
,
Carter Emily A.
(School of Engineering and Applied Science, Princeton University, New Jersey, United States)
,
Lischka Hans
(School of Pharmaceutical Sciences and Technology, Tianjin University, P.R. China)
,
Lischka Hans
(Department of Chemistry and Biochemistry, Texas Tech University, Texas, United States)
,
Lischka Hans
(Institute for Theoretical Chemistry, University of Vienna, Austria)
資料名:
Journal of Chemical Theory and Computation
(Journal of Chemical Theory and Computation)
巻:
13
号:
6
ページ:
2612-2622
発行年:
2017年
JST資料番号:
W2328A
ISSN:
1549-9618
CODEN:
JCTCCE
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
アメリカ合衆国 (USA)
言語:
英語 (EN)