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23
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable ExplicitImplicit Solvent Model.pdf
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable ExplicitImplicit Solvent Model
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39
Accurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM drude polarizable force field.pdf
Accurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM drude polarizable force fieldAccurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM drude polarizable force fieldAccurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM drude polarizable force field
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22
Strike a Balance Optimization of Backbone Torsion Parameters of AMBER Polarizable Force Field for Simulations of Proteins and Peptides.pdf
Strike a Balance Optimization of Backbone Torsion Parameters of AMBER Polarizable Force Field for Simulations of Proteins and Peptides
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21
A Comparative Kirkwood-Buff Study of Aqueous Methanol Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields.pdf
A Comparative Kirkwood-Buff Study of Aqueous Methanol Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields
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26
Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain using Polarizable Force Field Simulations.pdf
Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain using Polarizable Force Field Simulations
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21
medium effects on the properties of chemical systems an overview of recent formulations in the polarizable continuum model (pcm).pdf
medium effects on the properties of chemical systems an overview of recent formulations in the polarizable continuum model (pcm)
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