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Steven L. Mielke
Steven L. Mielke
University of Minnesota, Department of Chemistry
Verified email at umn.edu
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Cited by
Cited by
Year
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
12542008
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
4662004
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
3942007
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
3882008
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
3482005
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
2372011
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
1732002
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
1602003
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
1512006
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
1332012
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
1332003
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
1271994
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
1181996
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
1081993
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
1042006
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
1032011
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
891994
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
861997
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
831996
A systematic study of the reactions of OH-with chlorinated methanes. 1. Benchmark studies of the gas-phase reactions
YA Borisov, EE Arcia, SL Mielke, BC Garrett, TH Dunning
The Journal of Physical Chemistry A 105 (32), 7724-7736, 2001
632001
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