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    Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions
    15 years 18 days ago
    Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions
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    Petr Bou
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    JCC
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    Local deformations of polymers with nonplanar rigid main-chain internal coordinates
    15 years 18 days ago
    Local deformations of polymers with nonplanar rigid main-chain internal coordinates
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    Aaron R. Dinner
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    JCC
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    Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A
    15 years 18 days ago
    Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A
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    Finn Drabløs
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    JCC
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    Modal dynamics of proteins in water
    15 years 18 days ago
    Modal dynamics of proteins in water
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    Juan Elezgaray, Yves-Henri Sanejouand
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    JCC
    2000
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    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
    15 years 18 days ago
    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
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    Jana Khandogin, Anguang Hu, Darrin M. York
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