Stability of NanPb (n <~ 7) clusters: A first-principles molecular-dynamics study.
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Biomedical subjects
JL Martins
Publications and source records attributed to JL Martins.
First-principles molecular dynamics of liquid cesium and rubidium.
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Ab initio molecular dynamics with variable cell shape: Application to MgSiO3.
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Electronic properties of K-doped C60(111): Photoemission and electron correlation.
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Energetics of interplanar binding in graphite.
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Electronic structure of CaxC60 fullerides.
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Structural and electronic properties of C60.
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Structural and electronic properties of KnC60.
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Electronic structure of neutral and charged C60 clusters.
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Energy versus free-energy conservation in first-principles molecular dynamics.
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Simulation of Si clusters via Langevin molecular dynamics with quantum forces.
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Metallic and insulating phases of LixC60, NaxC60, and RbxC60.
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Structural properties of SiO2 in the stishovite structure.
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Electronic properties of alpha -quartz under pressure.
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Electronic states of solid C60: Symmetries and photoionization cross sections.
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Band dispersion and empty electronic states in solid C60: Inverse photoemission and theory.
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Pressure dependence of the structural properties of alpha -quartz near the amorphous transition.
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Structural model for pseudobinary semiconductor alloys.
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