Ahren W. Jasper, Ph.D. - Publications

Affiliations: 
2003 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry

43 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
2016 Nangia S, Jasper AW, Miller TF, Truhlar DG. Erratum: "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method" [J. Chem. Phys. 120, 3586 (2004)]. The Journal of Chemical Physics. 144: 139901. PMID 27059592 DOI: 10.1063/1.4944694  1
2015 Annesley CJ, Randazzo JB, Klippenstein SJ, Harding LB, Jasper AW, Georgievskii Y, Ruscic B, Tranter RS. Thermal Dissociation and Roaming Isomerization of Nitromethane: Experiment and Theory. The Journal of Physical Chemistry. A. PMID 25886024 DOI: 10.1021/acs.jpca.5b01563  0.76
2015 Jasper AW. Multidimensional Effects in Nonadiabatic Statistical Theories of Spin-Forbidden Kinetics: A Case Study of (3)O + CO → CO2. The Journal of Physical Chemistry. A. 119: 7339-51. PMID 25871914 DOI: 10.1021/jp512942w  0.01
2015 Moshammer K, Jasper AW, Popolan-Vaida DM, Lucassen A, Diévart P, Selim H, Eskola AJ, Taatjes CA, Leone SR, Sarathy SM, Ju Y, Dagaut P, Kohse-Höinghaus K, Hansen N. Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether. The Journal of Physical Chemistry. A. PMID 25695304 DOI: 10.1021/acs.jpca.5b00101  0.76
2015 Jasper AW, Oana CM, Miller JA. "Third-Body" collision efficiencies for combustion modeling: Hydrocarbons in atomic and diatomic baths Proceedings of the Combustion Institute. 35: 197-204. DOI: 10.1016/j.proci.2014.05.105  0.76
2015 Steill JD, Jasper AW, Chandler DW. Determination of the collisional energy transfer distribution responsible for the collision-induced dissociation of NO2 with Ar Chemical Physics Letters. 636: 1-14. DOI: 10.1016/j.cplett.2015.06.035  0.76
2015 Moshammer K, Jasper AW, Popolan-Vaida DM, Lucassen A, Diévart P, Selim H, Eskola AJ, Taatjes CA, Leone SR, Sarathy SM, Ju Y, Dagaut P, Kohse-Höinghaus K, Hansen N. New insights into the low-temperature oxidation of dimethyl ether: Detection and identification of the keto-hydroperoxide (HOOCH2OCHO) Aspacc 2015 - 10th Asia-Pacific Conference On Combustion 0.76
2013 Kamarchik E, Jasper AW. Anharmonic state counts and partition functions for molecules via classical phase space integrals in curvilinear coordinates. The Journal of Chemical Physics. 138: 194109. PMID 23697411 DOI: 10.1063/1.4804420  0.76
2013 Kamarchik E, Jasper AW. Anharmonic vibrational properties from intrinsic n-mode state densities Journal of Physical Chemistry Letters. 4: 2430-2435. DOI: 10.1021/jz401181q  0.76
2011 Yang X, Jasper AW, Giri BR, Kiefer JH, Tranter RS. A shock tube and theoretical study on the pyrolysis of 1,4-dioxane. Physical Chemistry Chemical Physics : Pccp. 13: 3686-700. PMID 21183995 DOI: 10.1039/c0cp01541e  0.76
2011 Wang XG, Carrington T, Dawes R, Jasper AW. The vibration-rotation-tunneling spectrum of the polar and T-shaped-N-in isomers of (NNO)2 Journal of Molecular Spectroscopy. 268: 53-65. DOI: 10.1016/j.jms.2011.03.017  0.76
2011 Sivaramakrishnan R, Michael JV, Wagner AF, Dawes R, Jasper AW, Harding LB, Georgievskii Y, Klippenstein SJ. Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory Combustion and Flame. 158: 618-632. DOI: 10.1016/j.combustflame.2010.12.017  0.76
2010 Dawes R, Wang XG, Jasper AW, Carrington T. Nitrous oxide dimer: a new potential energy surface and rovibrational spectrum of the nonpolar isomer. The Journal of Chemical Physics. 133: 134304. PMID 20942536 DOI: 10.1063/1.3494542  0.76
2010 Dawes R, Jasper AW, Tao C, Richmond C, Mukarakate C, Kableand SH, Reid SA. Theoretical and experimental spectroscopy of the S2 state of CHF and CDF: Dynamically weighted multireference configuration interaction calculations for high-lying electronic states Journal of Physical Chemistry Letters. 1: 641-646. DOI: 10.1021/jz900380a  0.76
2010 Binder AJ, Dawes R, Jasper AW, Camden JP. The role of excited electronic states in hypervelocity collisions: Enhancement of the O(3P) + HCl → OCl + H reaction channel Journal of Physical Chemistry Letters. 1: 2940-2945. DOI: 10.1021/jz1011059  0.76
2009 Bonhommeau D, Valero R, Truhlar DG, Jasper AW. Coupled-surface investigation of the photodissociation of NH3(A): effect of exciting the symmetric and antisymmetric stretching modes. The Journal of Chemical Physics. 130: 234303. PMID 19548723 DOI: 10.1063/1.3132222  1
2009 Yang X, Jasper AW, Giri BR, Kiefer JH, Tranter RS. A shock tube study on the pyrolysis of 1,4-dioxane Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, Wss/Ci 2009 Fall Meeting. 2: 813-826.  0.76
2008 Valero R, Truhlar DG, Jasper AW. Adiabatic states derived from a spin-coupled diabatic transformation: semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+. The Journal of Physical Chemistry. A. 112: 5756-69. PMID 18529041 DOI: 10.1021/jp800738b  1
2008 Srinivasan NK, Su MC, Michael JV, Jasper AW, Klippenstein SJ, Harding LB. Thermal decomposition of CF3 and the reaction of CF2 + OH --> CF2O + H. The Journal of Physical Chemistry. A. 112: 31-7. PMID 18062678 DOI: 10.1021/jp076344u  0.76
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  1
2007 Jasper AW, Truhlar DG. Non-Born-Oppenheimer molecular dynamics of Na...FH photodissociation. The Journal of Chemical Physics. 127: 194306. PMID 18035882 DOI: 10.1063/1.2798763  1
2007 Li ZH, Jasper AW, Truhlar DG. Structures, rugged energetic landscapes, and nanothermodynamics of Al(n) (2 Journal of the American Chemical Society. 129: 14899-910. PMID 17994736 DOI: 10.1021/ja073129i  1
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  0.76
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  0.76
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  0.76
2006 Jasper AW, Nangia S, Zhu C, Truhlar DG. Non-Born-Oppenheimer molecular dynamics. Accounts of Chemical Research. 39: 101-8. PMID 16489729 DOI: 10.1021/ar040206v  0.76
2005 Zhu C, Jasper AW, Truhlar DG. Non-Born-Oppenheimer Liouville-von Neumann Dynamics. Evolution of a Subsystem Controlled by Linear and Population-Driven Decay of Mixing with Decoherent and Coherent Switching. Journal of Chemical Theory and Computation. 1: 527-40. PMID 26641672 DOI: 10.1021/ct050021p  1
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  1
2005 Jasper AW, Truhlar DG. Electronic decoherence time for non-Born-Oppenheimer trajectories. The Journal of Chemical Physics. 123: 64103. PMID 16122296 DOI: 10.1063/1.1995695  1
2005 Jasper AW, Truhlar DG. Conical intersections and semiclassical trajectories: comparison to accurate quantum dynamics and analyses of the trajectories. The Journal of Chemical Physics. 122: 44101. PMID 15740229 DOI: 10.1063/1.1829031  1
2004 Zhu C, Nangia S, Jasper AW, Truhlar DG. Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born-Oppenheimer trajectories. The Journal of Chemical Physics. 121: 7658-70. PMID 15485225 DOI: 10.1063/1.1793991  0.76
2004 Jasper AW, Zhu C, Nangia S, Truhlar DG. Introductory lecture: nonadiabatic effects in chemical dynamics. Faraday Discussions. 127: 1-22. PMID 15471336 DOI: 10.1039/b405601a  0.76
2004 Nangia S, Jasper AW, Miller TF, Truhlar DG. Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method. The Journal of Chemical Physics. 120: 3586-97. PMID 15268520 DOI: 10.1063/1.1641019  0.76
2004 Zhu C, Jasper AW, Truhlar DG. Non-Born-Oppenheimer trajectories with self-consistent decay of mixing. The Journal of Chemical Physics. 120: 5543-57. PMID 15267430 DOI: 10.1063/1.1648306  1
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  1
2003 Wei L, Jasper AW, Truhlar DG. Narrow subthreshold quantum mechanical resonances in the Li + HF → H + LiF reaction Journal of Physical Chemistry A. 107: 7236-7247. DOI: 10.1021/jp0345250  1
2003 Jasper AW, Truhlar DG. Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations Chemical Physics Letters. 369: 60-67. DOI: 10.1016/S0009-2614(02)01990-5  1
2002 Jasper AW, Hack MD, Truhlar DG, Piecuch P. Coupled quasidiabatic potential energy surfaces for LiFH Journal of Chemical Physics. 116: 8353-8366. DOI: 10.1063/1.1463440  0.76
2002 Jasper AW, Stechmann SN, Truhlar DG. Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions Journal of Chemical Physics. 116: 5424-5431. DOI: 10.1063/1.1453404  1
2001 Jasper AW, Hack MD, Chakraborty A, Truhlar DG, Piecuch P. Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study Journal of Chemical Physics. 115: 7945-7952. DOI: 10.1063/1.1407278  0.76
2001 Jasper AW, Hack MD, Truhlar DG. The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations Journal of Chemical Physics. 115: 1804-1816. DOI: 10.1063/1.1377891  1
2000 Hack MD, Jasper AW, Volobuev YL, Schwenke DW, Truhlar DG. Do Semiclassical Trajectory Theories Provide an Accurate Picture of Radiationless Decay for Systems with Accessible Surface Crossings? Journal of Physical Chemistry A. 104: 217-232.  1
1999 Hack MD, Jasper AW, Volobuev YL, Schwenke DW, Truhlar DG. Quantum Mechanical and Quasiclassical Trajectory Surface Hopping Studies of the Electronically Nonadiabatic Predissociation of the à State of NaH2 Journal of Physical Chemistry A. 103: 6309-6326.  1
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