| Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements B Peng, M Locascio, P Zapol, S Li, SL Mielke, GC Schatz, HD Espinosa Nature nanotechnology 3 (10), 626-631, 2008 | 1298 | 2008 |
| The role of vacancy defects and holes in the fracture of carbon nanotubes SL Mielke, D Troya, S Zhang, JL Li, S Xiao, R Car, RS Ruoff, GC Schatz, ... Chemical Physics Letters 390 (4), 413-420, 2004 | 477 | 2004 |
| Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets R Khare, SL Mielke, JT Paci, S Zhang, R Ballarini, GC Schatz, ... Physical Review B 75 (7), 075412, 2007 | 410 | 2007 |
| Effect of water vapor on electrical properties of individual reduced graphene oxide sheets I Jung, D Dikin, S Park, W Cai, SL Mielke, RS Ruoff The Journal of Physical Chemistry C 112 (51), 20264-20268, 2008 | 393 | 2008 |
| Mechanics of defects in carbon nanotubes: atomistic and multiscale simulations S Zhang, SL Mielke, R Khare, D Troya, RS Ruoff, GC Schatz, T Belytschko Physical Review B 71 (11), 115403, 2005 | 353 | 2005 |
| Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation J Zheng, T Yu, E Papajak, IM Alecu, SL Mielke, DG Truhlar Physical Chemistry Chemical Physics 13 (23), 10885-10907, 2011 | 262 | 2011 |
| A hierarchical family of global analytic Born–Oppenheimer potential energy surfaces for the H+ H2 reaction ranging in quality from double-zeta to the complete basis set limit SL Mielke, BC Garrett, KA Peterson The Journal of chemical physics 116 (10), 4142-4161, 2002 | 178 | 2002 |
| H+ H 2 thermal reaction: A convergence of theory and experiment SL Mielke, KA Peterson, DW Schwenke, BC Garrett, DG Truhlar, ... Physical review letters 91 (6), 063201, 2003 | 161 | 2003 |
| Statistical thermodynamics of bond torsional modes: Tests of separable, almost-separable, and improved Pitzer–Gwinn approximations BA Ellingson, VA Lynch, SL Mielke, DG Truhlar The Journal of chemical physics 125 (8), 084305, 2006 | 155 | 2006 |
| MSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity J Zheng, SL Mielke, KL Clarkson, DG Truhlar Computer Physics Communications 183 (8), 1803-1812, 2012 | 148 | 2012 |
| Carbon nanotube fracture–differences between quantum mechanical mechanisms and those of empirical potentials D Troya, SL Mielke, GC Schatz Chemical Physics Letters 382 (1), 133-141, 2003 | 137 | 2003 |
| Ab initio chemical kinetics: Converged quantal reaction rate constants for the D+ H2 system SL Mielke, GC Lynch, DG Truhlar, DW Schwenke The Journal of Physical Chemistry 98 (33), 8000-8008, 1994 | 124 | 1994 |
| Dynamics of the simplest chlorine atom reaction: An experimental and theoretical study M Alagia, N Balucani, L Cartechini, P Casavecchia, EH Van Kleef, ... Science 273, 1519, 1996 | 121 | 1996 |
| Kinetic isotope effects for the reactions of muonic helium and muonium with H2 DG Fleming, DJ Arseneau, O Sukhorukov, JH Brewer, SL Mielke, ... Science 331 (6016), 448-450, 2011 | 108 | 2011 |
| Transition states and minimum energy pathways for the collapse of carbon nanotubes S Zhang, R Khare, T Belytschko, KJ Hsia, SL Mielke, GC Schatz Physical Review B 73 (7), 075423, 2006 | 104 | 2006 |
| A more accurate potential energy surface and quantum mechanical cross section calculations for the F+ H 2 reaction SL Mielke, GC Lynch, DG Truhlar, DW Schwenke Chemical physics letters 213 (1), 10-16, 1993 | 100 | 1993 |
| Algebraic variational and propagation formalisms for quantal dynamics calculations of electronic‐to‐vibrational, rotational energy transfer and application to the quenching of … GJ Tawa, SL Mielke, DG Truhlar, DW Schwenke The Journal of chemical physics 100, 5751, 1994 | 90 | 1994 |
| Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer MS Topaler, MD Hack, TC Allison, YP Liu, SL Mielke, DW Schwenke, ... The Journal of chemical physics 106 (21), 8699-8709, 1997 | 88 | 1997 |
| Quantum mechanical rate coefficients for the Cl+ H2 reaction SL Mielke, TC Allison, DG Truhlar, DW Schwenke The Journal of Physical Chemistry 100 (32), 13588-13593, 1996 | 85 | 1996 |
| Dynamics of the Cl+ H2/D2 reaction: a comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical calculations M Alagia, N Balucani, L Cartechini, P Casavecchia, GG Volpi, FJ Aoiz, ... Physical Chemistry Chemical Physics 2 (4), 599-612, 2000 | 62 | 2000 |
Donald TruhlarUniversity of Minnesotaยืนยันอีเมลแล้วที่ umn.edu