文献
J-GLOBAL ID:201702290481063202
整理番号:17A0253820
密度汎関数摂動理論からのNMR遮蔽:GIPAW対全電子計算
NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations
著者 (6件):
de Wijs G. A.
(Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen, The Netherlands)
,
Laskowski R.
(Institute of High Performance Computing, A*STAR, 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632)
,
Blaha P.
(Institute of Materials Chemistry, Vienna University of Technology, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria)
,
Havenith R. W. A.
(Zernike Institute for Advanced Materials, Stratingh Institute for Chemistry, University of Groningen, Nijenborgh 4, NL-9747 AG Groningen, The Netherlands)
,
Kresse G.
(University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria)
,
Marsman M.
(University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Vienna, Austria)
資料名:
Journal of Chemical Physics
(Journal of Chemical Physics)
巻:
146
号:
6
ページ:
064115-064115-11
発行年:
2017年02月14日
JST資料番号:
C0275A
ISSN:
0021-9606
CODEN:
JCPSA6
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)