@article{saito:hal-01631918,
TITLE = {Simulation of crystal and electronic structures of octahedral molybdenum cluster complex compound Cs-2[Mo6Cl14] using various DFT functionals},
AUTHOR = {Saito, Norio and Lemoine, Pierric and Cordier, St{\'e}phane and Ohsawa, Takeo and Wada, Yoshiki and Grasset, Fabien and Cross, Jeffrey Scott and Ohashi, Naoki},
URL = {https://univ-rennes.hal.science/hal-01631918},
JOURNAL = {Journal of the Ceramic Society of Japan},
PUBLISHER = {Ceramic Society of Japan},
VOLUME = {125},
NUMBER = {10},
PAGES = {753-759},
YEAR = {2017},
DOI = {10.2109/jcersj2.17039},
KEYWORDS = {XPS ; Metal cluster ; Molybdenum ; DFT ; Electronic structure ; Key-words : Metal cluster},
PDF = {https://univ-rennes.hal.science/hal-01631918/file/Simulation%20of%20crystal%20and%20electronic%20structures%20of%20octahedralmolybdenum%20cluster%20complex%20compound%20Cs2%5BMo6Cl14%5Dusingvarious%20DFT%20functionals.pdf},
HAL_ID = {hal-01631918},
HAL_VERSION = {v1},
}