Please use this identifier to cite or link to this item: https://doi.org/10.1142/S0129183111016166
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dc.titleDensity functional theory investigate of the RgFn(Rg = Kr,Xe; n = 2,4,6) molecules
dc.contributor.authorFang, K.
dc.contributor.authorWu, X.
dc.contributor.authorDu, C.
dc.contributor.authorDai, Y.
dc.contributor.authorChu, S.
dc.contributor.authorHu, L.
dc.contributor.authorDeng, J.
dc.contributor.authorFeng, Y.
dc.date.accessioned2014-10-16T09:20:17Z
dc.date.available2014-10-16T09:20:17Z
dc.date.issued2011-02
dc.identifier.citationFang, K., Wu, X., Du, C., Dai, Y., Chu, S., Hu, L., Deng, J., Feng, Y. (2011-02). Density functional theory investigate of the RgFn(Rg = Kr,Xe; n = 2,4,6) molecules. International Journal of Modern Physics C 22 (2) : 155-167. ScholarBank@NUS Repository. https://doi.org/10.1142/S0129183111016166
dc.identifier.issn01291831
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/96164
dc.description.abstractWe present a systematic Density Functional Theory (DFT) calculations for the RgFn(Rg = Kr,Xe; n = 2,4,6) molecules. The dissociation energies, harmonic vibrational frequencies and equilibrium bond lengths of these molecules are determined using several hybrid density functional methods. Results are compared with other theoretical studies and experimental values available. The accuracy of the DFT results is found to depend upon the functionals employed. © 2011 World Scientific Publishing Company.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1142/S0129183111016166
dc.sourceScopus
dc.subjectHybrid density functional methods
dc.subjectnoble gas compound
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1142/S0129183111016166
dc.description.sourcetitleInternational Journal of Modern Physics C
dc.description.volume22
dc.description.issue2
dc.description.page155-167
dc.identifier.isiut000288566500005
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