文献
J-GLOBAL ID:201702214181993885
整理番号:17A0793176
固体~43Ca NMRパラメータの計算:周期的およびクラスタ法の比較とDFT汎関数の評価【Powered by NICT】
Calculations of solid-state 43Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals
著者 (6件):
Holmes Sean T.
(Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, 19716)
,
Bai Shi
(Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, 19716)
,
Iuliucci Robbie J.
(Department of Chemistry, Washington and Jefferson College, Washington, Pennsylvania, 15301)
,
Mueller Karl T.
(Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania, 16802)
,
Mueller Karl T.
(Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington, 99352)
,
Dybowski Cecil
(Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, 19716)
資料名:
Journal of Computational Chemistry
(Journal of Computational Chemistry)
巻:
38
号:
13
ページ:
949-956
発行年:
2017年
JST資料番号:
C0111B
ISSN:
0192-8651
CODEN:
JCCHDD
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)