文献
J-GLOBAL ID:201702246937382874
整理番号:17A0748444
第一アルコールのための移植可能な分極性力場パラメータを校正するための系統的アプローチ【Powered by NICT】
A systematic approach to calibrate a transferable polarizable force field parameter set for primary alcohols
著者 (4件):
Visscher Koen M.
(AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1108, HZ, Amsterdam, the Netherlands)
,
Vosmeer C. Ruben
(AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1108, HZ, Amsterdam, the Netherlands)
,
Luirink Rosa A.
(AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1108, HZ, Amsterdam, the Netherlands)
,
Geerke Daan P.
(AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1108, HZ, Amsterdam, the Netherlands)
資料名:
Journal of Computational Chemistry
(Journal of Computational Chemistry)
巻:
38
号:
8
ページ:
508-517
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)