| Multiconfiguration pair-density functional theory G Li Manni, RK Carlson, S Luo, D Ma, J Olsen, DG Truhlar, L Gagliardi Journal of chemical theory and computation 10 (9), 3669-3680, 2014 | 426 | 2014 |
| Bulk properties of transition metals: a challenge for the design of universal density functionals P Janthon, S Luo, SM Kozlov, F Vines, J Limtrakul, DG Truhlar, F Illas Journal of chemical theory and computation 10 (9), 3832-3839, 2014 | 304 | 2014 |
| Validation of electronic structure methods for isomerization reactions of large organic molecules S Luo, Y Zhao, DG Truhlar Physical Chemistry Chemical Physics 13 (30), 13683-13689, 2011 | 92 | 2011 |
| Density functional theory of open-shell systems. the 3d-series transition-metal atoms and their cations S Luo, B Averkiev, KR Yang, X Xu, DG Truhlar Journal of chemical theory and computation 10 (1), 102-121, 2014 | 85 | 2014 |
| Improved CO adsorption energies, site preferences, and surface formation energies from a meta-generalized gradient approximation exchange–correlation functional, M06-L S Luo, Y Zhao, DG Truhlar The journal of physical chemistry letters 3 (20), 2975-2979, 2012 | 72 | 2012 |
| Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2(dobdc) R Maurice, P Verma, JM Zadrozny, S Luo, J Borycz, JR Long, DG Truhlar, ... Inorganic chemistry 52 (16), 9379-9389, 2013 | 62 | 2013 |
| How evenly can approximate density functionals treat the different multiplicities and ionization states of 4d transition metal atoms? S Luo, DG Truhlar Journal of Chemical Theory and Computation 8 (11), 4112-4126, 2012 | 44 | 2012 |
| 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 | 36 | 2013 |
| Noncollinear spins provide a self-consistent treatment of the low-spin state of a biomimetic oxomanganese synthetic trimer inspired by the oxygen evolving complex of photosystem II S Luo, I Rivalta, V Batista, DG Truhlar The Journal of Physical Chemistry Letters 2 (20), 2629-2633, 2011 | 34 | 2011 |
| Noncollinear spin states for density functional calculations of open-shell and multi-configurational systems: Dissociation of mno and nio and barrier heights of o3, beh2, and h4 S Luo, DG Truhlar Journal of chemical theory and computation 9 (12), 5349-5355, 2013 | 16 | 2013 |
| Minnesota-Gaussian functional module (MN-GFM, version 6.5) Y Zhao, R Peverati, S Luo, KR Yang, X He, HS Yu, DG Truhlar See http://comp. chem. umn. edu/mn-gfm/for details, 2015 | 13 | 2015 |
| Correction to multiconfiguration pair-density functional theory G Li Manni, RK Carlson, S Luo, D Ma, J Olsen, DG Truhlar, L Gagliardi Journal of Chemical Theory and Computation 12 (1), 458-458, 2016 | 9 | 2016 |
| Ligand-Mediated Ring → Cube Transformation in a Catalytic Subnanocluster: Co4O4(MeCN)n with n = 1–6 S Luo, CJ Dibble, MA Duncan, DG Truhlar The journal of physical chemistry letters 5 (15), 2528-2532, 2014 | 8 | 2014 |
| Computational Electrochemistry. Voltages of Lithium-Ion Battery Cathodes B Wang, S Luo, DG Truhlar The Journal of Physical Chemistry B 120 (8), 1437-1439, 2016 | 6 | 2016 |
| MN-VFM, version 2.1: Minnesota VASP Functional Module K Duanmu, S Luo, DG Truhlar See http://comp. chem. umn. edu/mn-vfm/for details (accessed Sept. 9, 2016 …, 0 | 1 | |
| Erratum: Multiconfiguration Pair-Density Functional Theory (J. Chem. Theory Comput.(2014) 10: 9 (3669-3680) 10.1021/ct500483t) GL Manni, RK Carlson, S Luo, D Ma, J Olsen, DG Truhlar, L Gagliardi Journal of Chemical Theory and Computation 12 (1), 2016 | | 2016 |
| Density Functional Theory on the Studies of Lithium Battery Materials B Wang, S Luo, D Truhlar APS March Meeting Abstracts 2014, C1. 277, 2014 | | 2014 |
