Density functional theory investigation of small Pt clusters

zbMATH Open1221.81212MaRDI QIDQ3013385FDOQ3013385

A. Z. Msezane, Zhifan Chen

Publication date: 18 July 2011

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Mathematics Subject Classification ID

Classification and discrimination; cluster analysis (statistical aspects) (62H30) Variational principles of physics (49S05) Molecular physics (81V55)

Cited In (7)

• Dispersion corrected density functionals applied to the water naphthalene cluster
• The anticancer drug bleomycin investigated by density functional theory
• Title not available (Why is that?)
• Title not available (Why is that?)
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• Molecular geometry, charge distribution and polarization in platinum nitrides. An ab initio and density functional theory study of PtNN, PtPtNN, NPtPtN, and NNPtNN
• HEAT CAPACITY OF 13- AND 19-ATOM PD–CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY

Uses Software

• DMOL3

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