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Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles study

Crossref DOI link: https://doi.org/10.1007/s00894-017-3446-1

Published Online: 2017-09-10

Published Print: 2017-10

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Zong, He-Hou

Zhang, Lei https://orcid.org/0000-0002-7722-565X
Zhang, Wei-bin

Jiang, Sheng-Li

Yu, Yi

Chen, Jun
Funding

Funding for this research was provided by:

National Natural Science Foundation of China (11672273, 11604017)

Fund of CAEP-SCNS (R2016-03-019)
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Article History

Received: 19 May 2017

Accepted: 25 August 2017

First Online: 10 September 2017