Hannah Leverentz
Hannah Leverentz
E-mail confirmado em winona.edu
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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
3082011
Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ
E Papajak, HR Leverentz, J Zheng, DG Truhlar
Journal of chemical theory and computation 5 (5), 1197-1202, 2009
2172009
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
1582008
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
862008
Energetics of atmospherically implicated clusters made of sulfuric acid, ammonia, and dimethyl amine
HR Leverentz, JI Siepmann, DG Truhlar, V Loukonen, H Vehkamäki
The Journal of Physical Chemistry A 117 (18), 3819-3825, 2013
852013
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
672009
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
552014
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
472013
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 …
HR Leverentz, DG Truhlar
The Journal of Physical Chemistry A 112 (26), 6009-6016, 2008
352008
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
312011
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
302013
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
262013
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
252013
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
212011
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
192014
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
192012
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
172012
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 (1), 3-13, 2011
172011
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
122011
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
112013
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