Infrared intensities and Raman-scattering activities within density-functional theory.
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Biomedical subjects
MR Pederson
Publications and source records attributed to MR Pederson.
Vibrational signatures for low-energy intermediate-sized Si clusters.
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Structure, stability, and vibrational properties of polymerized C60.
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Copper adsorption potentials of MgO(001).
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Fullerene dimers: Cohesive energy, electronic structure, and vibrational modes.
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Energetics and structure of toroidal forms of carbon.
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Boron hydride analogues of the fullerenes.
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Electronic-structure investigations of siloxenic clusters and films.
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Electronic states of group-IV endohedral atoms in C28.
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Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Multipole approach to orientational interactions in solid C60.
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Covalent container compound: Empty, endohedral, and exohedral C28 complexes.
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Electronic structure of superconducting Ba6C60.
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Density-functional-based linear and nonlinear polarizabilities of fullerene and benzene molecules.
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Polarizabilities, charge states, and vibrational modes of isolated fullerene molecules.
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Nanocapillarity in fullerene tubules.
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
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Enhanced stabilization of C60 crystals through doping.
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