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Nathan E. Schultz, Ph.D. - Publications

Affiliations: 
2006 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2010 Lewin JL, Maerzke KA, Schultz NE, Ross RB, Siepmann JI. Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation Journal of Applied Polymer Science. 116: 1-9. DOI: 10.1002/App.31232  0.322
2009 Zhao M, Iron MA, Staszewski P, Schultz NE, Valero R, Truhlar DG. Valence-Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles. Journal of Chemical Theory and Computation. 5: 594-604. PMID 26610225 DOI: 10.1021/Ct8004535  0.699
2009 Maerzke KA, Schultz NE, Ross RB, Siepmann JI. TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcohols. The Journal of Physical Chemistry. B. 113: 6415-25. PMID 19358558 DOI: 10.1021/Jp810558V  0.314
2009 Miller SR, Schultz NE, Truhlar DG, Leopold DG. A study of the ground and excited states of Al3 and Al3(-). II. Computational analysis of the 488 nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy. The Journal of Chemical Physics. 130: 024304. PMID 19154025 DOI: 10.1063/1.3008056  0.438
2009 Zhao M, Iron MA, Staszewski P, Schultz NE, Valero R, Truhlar DG. Valence-bond order (VBO): A new approach to modeling reactive potential energy surfaces for complex systems, materials, and nanoparticles Journal of Chemical Theory and Computation. 5: 594-604. DOI: 10.1021/ct8004535  0.624
2008 Schultz NE, Zhao Y, Truhlar DG. Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations. Journal of Computational Chemistry. 29: 185-9. PMID 17565501 DOI: 10.1002/Jcc.20717  0.489
2007 Jasper AW, Schultz NE, Truhlar DG. Transferability of Orthogonal and Nonorthogonal Tight-Binding Models for Aluminum Clusters and Nanoparticles. Journal of Chemical Theory and Computation. 3: 210-8. PMID 26627166 DOI: 10.1021/Ct600261S  0.629
2007 Li ZH, Bhatt D, Schultz NE, Siepmann JI, Truhlar DG. Free energies of formation of metal clusters and nanoparticles from molecular simulations: Al n with n = 2 - 60 Journal of Physical Chemistry C. 111: 16227-16242. DOI: 10.1021/Jp073559V  0.536
2007 Rai N, Siepmann JI, Schultz NE, Ross RB. Pressure dependence of the hildebrand solubility parameter and the internal pressure: Monte Carlo simulations for external pressures up to 300 MPa Journal of Physical Chemistry C. 111: 15634-15641. DOI: 10.1021/Jp071970C  0.311
2007 Schultz NE, Jasper AW, Bhatt D, Siepmann JI, Truhlar DG. Aluminum Nanoparticles: Accurate Potential Energy Functions and Physical Properties Multiscale Simulation Methods For Nanomaterials. 169-188. DOI: 10.1002/9780470191675.ch10  0.624
2006 Zhao Y, Schultz NE, Truhlar DG. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. Journal of Chemical Theory and Computation. 2: 364-82. PMID 26626525 DOI: 10.1021/Ct0502763  0.524
2006 Bhatt D, Schultz NE, Jasper AW, Siepmann JI, Truhlar DG. Phase behavior of elemental aluminum using monte carlo simulations. The Journal of Physical Chemistry. B. 110: 26135-42. PMID 17181268 DOI: 10.1021/Jp064169W  0.624
2006 Schultz NE, Gherman BF, Cramer CJ, Truhlar DG. PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling. The Journal of Physical Chemistry. B. 110: 24030-46. PMID 17125374 DOI: 10.1021/Jp064467T  0.565
2006 Bhatt D, Jasper AW, Schultz NE, Siepmann JI, Truhlar DG. Critical properties of aluminum. Journal of the American Chemical Society. 128: 4224-5. PMID 16568986 DOI: 10.1021/Ja0577950  0.635
2006 Zhu XY, Dutton G, Quinn DP, Lindstrom CD, Schultz NE, Truhlar DG. Molecular quantum well at the C60/Au (111) interface Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.241401  0.349
2006 Staszewska G, Staszewski P, Schultz NE, Truhlar DG. Erratum: Many-body tight-binding model for aluminum nanoparticles [Phys. Rev. B71, 045423 (2005)] Physical Review B. 73. DOI: 10.1103/Physrevb.73.039903  0.42
2005 Schultz NE, Truhlar DG. New Effective Core Method (Effective Core Potential and Valence Basis Set) for Al Clusters and Nanoparticles and Heteronuclear Al-Containing Molecules. Journal of Chemical Theory and Computation. 1: 41-53. PMID 26641114 DOI: 10.1021/Ct0400018  0.541
2005 Jasper AW, Schultz NE, Truhlar DG. Analytic potential energy functions for simulating aluminum nanoparticles. The Journal of Physical Chemistry. B. 109: 3915-20. PMID 16851444 DOI: 10.1021/Jp044805V  0.664
2005 Schultz NE, Zhao Y, Truhlar DG. Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations. The Journal of Physical Chemistry. A. 109: 4388-403. PMID 16833770 DOI: 10.1021/Jp0504468  0.566
2005 Schultz NE, Zhao Y, Truhlar DG. Density functionals for inorganometallic and organometallic chemistry. The Journal of Physical Chemistry. A. 109: 11127-43. PMID 16331896 DOI: 10.1021/Jp0539223  0.553
2005 Zhao Y, Schultz NE, Truhlar DG. Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions. The Journal of Chemical Physics. 123: 161103. PMID 16268672 DOI: 10.1063/1.2126975  0.502
2005 Staszewska G, Staszewski P, Schultz NE, Truhlar DG. Many-body tight-binding model for aluminum nanoparticles Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.045423  0.513
2004 Jasper AW, Staszewski P, Staszewska G, Schultz NE, Truhlar DG. Analytic potential energy functions for aluminum clusters Journal of Physical Chemistry B. 108: 8996-9010. DOI: 10.1021/Jp049164I  0.678
2004 Schultz NE, Staszewska G, Staszewski P, Truhlar DG. Validation of Theoretical Methods for the Structure and Energy of Aluminum Clusters The Journal of Physical Chemistry B. 108: 4850-4861. DOI: 10.1021/Jp0370223  0.545
2001 Fast PL, Schultz NE, Truhlar DG. Multi-coefficient Correlation Method:  Comparison of Specific-Range Reaction Parameters to General Parameters for CnHxOyCompounds The Journal of Physical Chemistry A. 105: 4143-4149. DOI: 10.1021/Jp004238L  0.691
2001 Fast PL, Schultz NE, Truhlar DG. Multi-coefficient Correlation Method: Comparison of Specific-Range Reaction Parameters to General Parameters for CnHxOy Compounds Journal of Physical Chemistry A. 105: 4143-4149.  0.628
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