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Hannah R Leverentz

Showing results (1-10 of 19) with videos related to

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Journal of Chemical Theory and Computation|November 27, 2015
Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding ChargesHannah R Leverentz, Donald G Truhlar
The Journal of Physical Chemistry. A|June 11, 2008
Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzeneHannah R Leverentz, Donald G Truhlar
Theoretical Chemistry Accounts|March 16, 2013
Using multipole point charge distributions to provide the electrostatic potential in the variational explicit polarization (X-Pol) potentialHannah R Leverentz, Jiali Gao, Donald G Truhlar
Journal of Chemical Theory and Computation|November 21, 2015
Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) ResultsHannah R Leverentz, Helena W Qi, Donald G Truhlar
The Journal of Physical Chemistry. A|May 1, 2013
Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effectsHelena W Qi, Hannah R Leverentz, Donald G Truhlar
Journal of Chemical Theory and Computation|December 2, 2015
Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water HexamersErin E Dahlke, Hannah R Leverentz, Donald G Truhlar
Journal of Chemical Theory and Computation|November 27, 2015
Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZEwa Papajak, Hannah R Leverentz, Jingjing Zheng, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Assessment and Validation of the Electrostatically Embedded Many-Body Expansion for Metal-Ligand BondingDuy Hua, Hannah R Leverentz, Elizabeth A Amin, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Nitrogen and Sulfur Compounds in Atmospheric Aerosols: A New Parametrization of Polarized Molecular Orbital Model Chemistry and Its Validation against Converged CCSD(T) Calculations for Large ClustersLuke Fiedler, Hannah R Leverentz, Santhanamoorthi Nachimuthu, et al.
Journal of Chemical Theory and Computation|February 5, 2013
Polarized Molecular Orbital Model Chemistry. II. The PMO MethodPeng Zhang, Luke Fiedler, Hannah R Leverentz, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

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Pageof 2
Journal of Chemical Theory and Computation|November 27, 2015
Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding ChargesHannah R Leverentz, Donald G Truhlar
The Journal of Physical Chemistry. A|June 11, 2008
Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzeneHannah R Leverentz, Donald G Truhlar
Theoretical Chemistry Accounts|March 16, 2013
Using multipole point charge distributions to provide the electrostatic potential in the variational explicit polarization (X-Pol) potentialHannah R Leverentz, Jiali Gao, Donald G Truhlar
Journal of Chemical Theory and Computation|November 21, 2015
Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) ResultsHannah R Leverentz, Helena W Qi, Donald G Truhlar
The Journal of Physical Chemistry. A|May 1, 2013
Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effectsHelena W Qi, Hannah R Leverentz, Donald G Truhlar
Journal of Chemical Theory and Computation|December 2, 2015
Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water HexamersErin E Dahlke, Hannah R Leverentz, Donald G Truhlar
Journal of Chemical Theory and Computation|November 27, 2015
Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZEwa Papajak, Hannah R Leverentz, Jingjing Zheng, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Assessment and Validation of the Electrostatically Embedded Many-Body Expansion for Metal-Ligand BondingDuy Hua, Hannah R Leverentz, Elizabeth A Amin, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Nitrogen and Sulfur Compounds in Atmospheric Aerosols: A New Parametrization of Polarized Molecular Orbital Model Chemistry and Its Validation against Converged CCSD(T) Calculations for Large ClustersLuke Fiedler, Hannah R Leverentz, Santhanamoorthi Nachimuthu, et al.
Journal of Chemical Theory and Computation|February 5, 2013
Polarized Molecular Orbital Model Chemistry. II. The PMO MethodPeng Zhang, Luke Fiedler, Hannah R Leverentz, et al.
Pageof 2