Probing the structures, stabilities, and electronic properties of neutral and charged carbon-doped l...
Probing the structures, stabilities, and electronic properties of neutral and charged carbon-doped lithium CLi
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Full title
Author / Creator
Zhang, Shuai , Zhang, Yu , Lu, Zhiwen , Shen, Xianbo , Li, Genquan , Peng, Feng and Bu, Xiaoning
Journal title
Language
English
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Scope and Contents
Contents
The structural and electronic properties of the global minimum structures of neutral, anionic and cationic CLi sub( n ) super( mu ) (n = 2-20; mu = 0, plus or minus 1) clusters were systematically investigated using the unbiased CALYPSO structure searching method in conjunction with density functional theory calculations at the B3LYP/6-311+G* level...
Alternative Titles
Full title
Probing the structures, stabilities, and electronic properties of neutral and charged carbon-doped lithium CLi
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Record Identifier
TN_cdi_proquest_miscellaneous_1864550942
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_1864550942
Other Identifiers
ISSN
0022-2461
E-ISSN
1573-4803
DOI
10.1007/s10853-016-0189-9
