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dc.contributor.authorLI Chun-Sen
dc.contributor.author李春森
dc.contributor.authorCAO Ze-Xing
dc.contributor.author曹泽星
dc.contributor.authorWU Wei
dc.contributor.author吴玮
dc.contributor.authorLIN Meng-Hai
dc.contributor.author林梦海
dc.contributor.authorZHANG Qian-Er
dc.contributor.author张乾二
dc.date.accessioned2011-12-01T02:31:49Z
dc.date.available2011-12-01T02:31:49Z
dc.date.issued2005
dc.identifier.citationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2005.26(1):116-120zh_CN
dc.identifier.issn0251-0790
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/11274
dc.description.abstractIn this paper geometry structures of Pd-n(n=2-13) clusters are investigated by using density functional theory(DFT). The most stable cluster structures are in a lower symmetry due to the Jahn-Teller distortions. A variety of structures are very close in energy at the same clusters size. The mean polarizability of an atom in palladium clusters displays an oscillation behavior and the value of the odd-numbered cluster is relatively higher than that of even-size one.zh_CN
dc.language.isozhzh_CN
dc.publisherHIGHER EDUCATION PRESSzh_CN
dc.subjectPd clusterzh_CN
dc.subjectB3LYPzh_CN
dc.subjectnatural electron configurationzh_CN
dc.subjectcohesive energyzh_CN
dc.subjectmean static polarizabilityzh_CN
dc.titleDFT studies on the Pd-n(n=2-13) clusterszh_CN
dc.typeArticlezh_CN


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