Simulation of crystal and electronic structures of octahedral molybdenum cluster complex compound Cs2[Mo6Cl14] using various DFT functionals

Publication Information

Title

Japanese:
English:	Simulation of crystal and electronic structures of octahedral molybdenum cluster complex compound Cs2[Mo6Cl14] using various DFT functionals

Author

Japanese:	斎藤典生, ルモワンヌピエリック, コーディエステファン, 大澤健男, 和田芳樹, グラッセファビアン, クロスジェフリースコット, 大橋直樹.
English:	Norio Saito, Pierric Lemoine, Stephane Cordier, Takeo Ohsawa, Yoshiki Wada, Fabien Grasset, Jeffrey Scott Cross, Naoki Ohashi.

Language

English

Journal/Book name

Japanese:
English:	Journal of the Ceramic Society of Japan

Volume, Number, Page

Vol. 125 No. 10 pp. 753-759

Published date

Oct. 2017

Publisher

Japanese:
English:

Conference name

Japanese:
English:

Conference site

Japanese:
English:

DOI