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    JCC
    2000
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    Gibbs energy minimization in gas + liquid + solid systems
    13 years 11 months ago
    Gibbs energy minimization in gas + liquid + solid systems
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    Denton S. Ebel, Mark S. Ghiorso, Richard O. Sack, ...
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    JCC
    2000
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    Stabilization in neutral bicyclic sulfoxide compounds
    13 years 11 months ago
    Stabilization in neutral bicyclic sulfoxide compounds
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    : Density Functional Theory (DFT) calculations at the B3LYP/6-31+G
    Redouan El-Bergmi, José Antonio Dobado Jime...
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    JCC
    2000
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    Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A
    13 years 11 months 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
    2000
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    Universal solvation model based on conductor-like screening model
    13 years 11 months ago
    Universal solvation model based on conductor-like screening model
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    Derek M. Dolney, Gregory D. Hawkins, Paul Winget, ...
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    JCC
    2000
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    Local deformations of polymers with nonplanar rigid main-chain internal coordinates
    13 years 11 months ago
    Local deformations of polymers with nonplanar rigid main-chain internal coordinates
    Download  dinner-group.uchicago.edu
    Aaron R. Dinner
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    JCC
    2000
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    Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions
    13 years 11 months ago
    Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions
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    Petr Bou
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