Perspectives on basis sets beautiful: Seasonal plantings of diffuse basis functions E Papajak, J Zheng, X Xu, HR Leverentz, DG Truhlar Journal of chemical theory and computation 7 (10), 3027-3034, 2011 | 520 | 2011 |

Efficient Diffuse Basis Sets: cc-pV*x*Z+ and maug-cc-pV*x*ZE Papajak, HR Leverentz, J Zheng, DG Truhlar Journal of chemical theory and computation 5 (5), 1197-1202, 2009 | 270 | 2009 |

Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers EE Dahlke, RM Olson, HR Leverentz, DG Truhlar The Journal of Physical Chemistry A 112 (17), 3976-3984, 2008 | 170 | 2008 |

Energetics of atmospherically implicated clusters made of sulfuric acid, ammonia, and dimethyl amine HR Leverentz, JI Siepmann, DG Truhlar, V Loukonen, H Vehkamaki The Journal of Physical Chemistry A 117 (18), 3819-3825, 2013 | 103 | 2013 |

Evaluation of the electrostatically embedded many-body expansion and the electrostatically embedded many-body expansion of the correlation energy by application to low-lying … EE Dahlke, HR Leverentz, DG Truhlar Journal of Chemical Theory and Computation 4 (1), 33-41, 2008 | 91 | 2008 |

Electrostatically embedded many-body approximation for systems of water, ammonia, and sulfuric acid and the dependence of its performance on embedding charges HR Leverentz, DG Truhlar Journal of Chemical Theory and Computation 5 (6), 1573-1584, 2009 | 72 | 2009 |

Water 26-mers drawn from bulk simulations: Benchmark binding energies for unprecedentedly large water clusters and assessment of the electrostatically embedded three-body and … J Friedrich, H Yu, HR Leverentz, P Bai, JI Siepmann, DG Truhlar The journal of physical chemistry letters 5 (4), 666-670, 2014 | 64 | 2014 |

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 … HR Leverentz, HW Qi, DG Truhlar Journal of Chemical Theory and Computation 9 (2), 995-1006, 2013 | 52 | 2013 |

Polarized molecular orbital model chemistry. 2. The PMO method P Zhang, L Fiedler, HR Leverentz, DG Truhlar, J Gao Journal of chemical theory and computation 7 (4), 857-867, 2011 | 36 | 2011 |

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 … HW Qi, HR Leverentz, DG Truhlar The Journal of Physical Chemistry A 117 (21), 4486-4499, 2013 | 35 | 2013 |

Assessment of New Meta and Hybrid Meta Density Functionals for Predicting the Geometry and Binding Energy of a Challenging System: The Dimer of H_{2}S and …HR Leverentz, DG Truhlar The Journal of Physical Chemistry A 112 (26), 6009-6016, 2008 | 34 | 2008 |

The structure of silica surfaces exposed to atomic oxygen P Norman, TE Schwartzentruber, H Leverentz, S Luo, R Meana-Pañeda, ... The Journal of Physical Chemistry C 117 (18), 9311-9321, 2013 | 30 | 2013 |

Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry M Isegawa, L Fiedler, HR Leverentz, Y Wang, S Nachimuthu, J Gao, ... Journal of chemical theory and computation 9 (1), 33-45, 2013 | 28 | 2013 |

Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates B Wang, KR Yang, X Xu, M Isegawa, HR Leverentz, DG Truhlar Accounts of Chemical Research 47 (9), 2731-2738, 2014 | 26 | 2014 |

Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer HR Leverentz, KA Maerzke, SJ Keasler, JI Siepmann, DG Truhlar Physical Chemistry Chemical Physics 14 (21), 7669-7678, 2012 | 23 | 2012 |

Screened electrostatically embedded many-body method JOB Tempkin, HR Leverentz, B Wang, DG Truhlar The Journal of Physical Chemistry Letters 2 (17), 2141-2144, 2011 | 23 | 2011 |

Electrostatically embedded many-body expansion for neutral and charged metalloenzyme model systems EK Kurbanov, HR Leverentz, DG Truhlar, EA Amin Journal of chemical theory and computation 8 (1), 1-5, 2012 | 22 | 2012 |

Using multipole point charge distributions to provide the electrostatic potential in the variational explicit polarization (X-Pol) potential HR Leverentz, J Gao, DG Truhlar Theoretical chemistry accounts 129, 3-13, 2011 | 17 | 2011 |

Analysis of the Errors in the Electrostatically Embedded Many-Body Expansion of the Energy and the Correlation Energy for Zn and Cd Coordination Complexes with Five and Six … EK Kurbanov, HR Leverentz, DG Truhlar, EA Amin Journal of chemical theory and computation 9 (6), 2617-2628, 2013 | 14 | 2013 |

Assessment and Validation of the Electrostatically Embedded Many-Body Expansion for Metal− Ligand Bonding D Hua, HR Leverentz, EA Amin, DG Truhlar Journal of Chemical Theory and Computation 7 (2), 251-255, 2011 | 13 | 2011 |