Density functional theory investigation of small Pt clusters

zbMATH Open1221.81212MaRDI QIDQ3013385FDOQ3013385

Authors: Zhifan Chen, A. Z. Msezane 

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 (14)

• 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?)
• An efficient optimization algorithm that hybridizes DFTB and DFT theories both operated within the modified basin hopping method
• Structural, electronic and vibrational properties of \(\text{Pb}_n\text{S}_n\) \((n=1-9)\) clusters using density-functional theory
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• The global optimization of \(\mathrm{Pt}_{13}\) cluster using the first-principle molecular dynamics with the quenching technique
• Density functional study of the structural and electronic properties of aluminium-lithium clusters
• First principle calculations of yttrium-doped palladium clusters
• Density functional theory investigate of the \(RgF_{n}(Rg =\) kr,Xe; \(n = 2,4,6)\) molecules
• The density functional calculations of \(\text{In}_n\text{Sb}_n\) clusters (\(n\leq 16\))
• Molecular geometry, charge distribution and polarization in platinum nitrides. An ab initio and density functional theory study of PtNN, PtPtNN, NPtPtN, and NNPtNN
• A total scattering Debye function analysis study of faulted Pt nanocrystals embedded in a porous matrix
• HEAT CAPACITY OF 13- AND 19-ATOM PD–CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY

Uses Software

• DMOL3

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