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Scholarship Project

Michael Salazar

Chair and Professor of Chemistry

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34 Results

Peer-Reviewed Journal Article(s)

  • "Energy-Conserving Microcanonical Simulations from a Discontinuous Total Potential Formulated in Terms of Adaptive, Multilevel QM Groups," Journal of Chemical Physics. (February 2010)
  • "Properties of a Method for Performing Adaptive, Multilevel QM Simulations of Complex Chemical Reaction in the Gas-Phase," Journal of Chemical Theory and Computation, 6, 18-25. (January 2010) (with M. Graham Guthrie and April D. Daigle)
  • "Low Temperature Oxidative Degradation of PBX 9501 and its Components Determined via Molecular Weight Analysis," Journal of Polymer Degradation and Stability, 94, 2231-2240. (January 2009)
  • "Aging of the Binder in Plastic-Bonded Exploxive PBX 9501 and Free-Radical Oxidation," Trends in Polymer Degradaton and Performance, American Chemical Society Symposium Series. (February 2008) (with Joel D. Kress, Debra A. Wrobleski, D.A. Langlois, E.B. Orler, J. Michael Lightfoot, Wayne A. Rodin, C. Huddleston, Loreli Woods, Bobby G. Russell, Denise K. Pauler)
  • "Degradation of a Poly(ester urethane) Elastomer. IV. The Absorption and Diffusion of Water in the Components of PBX 9501," Journal of Applied Polymer Science, 105, 1063-1076. (January 2007) (with Shelly L. Thompson, Kenneth E. Laintz, Thomas O. Meyer, and Russell T. Pack)
  • "," Journal of Physical Chemistry A, 109 (50), 11515 -11520. (October 2005)
  • "," Journal of Chemical Physics, 121 (14), 6874-6882. (October 2004)
  • "," Journal of Polymer Science, 41 (8), 1136-1151. (March 2003) (with J. Michael Lightfoot, Bobby G. Russell, Wayne A. Rodin, Melanie McCarty, Debra A. Wrobleski, E. Bruce Orler, David A. Spieker, Roger A. Assink, Russell T Pack)

Magazine Article(s)

  • "Properties of a method for performing adaptive, multilevel QM simulations of complex chemical reactions in the gas-phase," Journal of Chemical Theory and Computation, 6, 18-25. (February 2010) (with M. Graham Guthrie, April D. Daigle)
  • "Low Temperature Oxidative Degradation of PBX 9501 and its Components Determined via Molecular Weight Analysis," Journal of Polymer Degradation and Stability, 94, 2231-2240. (February 2009)
  • "Experimental Study of the Oxidative Degradation of PBX 9501 and its Components," Propellants, Explosives, Pyrotechnics, 33, 182-202. (February 2008) (with Joel D. Kress, J. Michael Lightfoot, Bobby G. Russell, Wayne A. Rodin and Loreli Woods)
  • "Experimental Study of the Oxidative Degradation of PBX 9501 and its Components," Propellants, Explosives, Pyrotechnics, 33, 182-202. (January 2008) (with Joel D. Kress, J. Michael Lightfoot, Bobby G. Russell, Wayne A. Rodin, and Loreli Woods)

Other Article(s)

  • "Aging of the Binder in Plastic-Bonded Explosive PBX 9501 and Free-Radical Oxidation," Trends in Polymer Degradation and Performance (American Chemical Society Symposium Series). (January 2008) (with Joel D. Kress, Debra A. Wrobleski, D.A. Langlois, E.B. Orler, J. Russell, and Denise K. Pauler)
  • "Methodology for the Modeling of Chemical Reactions on Accurate Potential Energy Surfaces," American Chemical Society, Division of Fuel Chemistry, 49 (1), 383-384. (January 2004)

Presentation(s)

  • "Simulations of Complex Chemical Processes by Adaptive, Multilevel QM/MM Theory" Department of Chemistry, New Mexico State University, NM. (January 2010)
  • "Multilevel QM/MM Simulations of Complex Chemical Reactions" Department of Chemistry, University of Alabama, Birmingham, AL. (October 2008)
  • "Toward a Multilevel QM/MM Methodology for Performing Molecular Dynamic Simulations of Complex Reactive Processes" Department of Chemistry, University of Missouri, MO. (October 2007)
  • "Theoretical Structures and Electrical Analysis of 7-Coordinated and Octahedral Systems Using GAMESS" Co-authored with Jimmy H. Davis  (with Rhett Barker)
    The 27th Annual Undergraduate Research Conference, Memphis, TN. (February 2007)
  • "Toward a Multilevel QM/MM Methodology for Performing Molecular Dynamic Simulations of Complex Reactive Processes" Material and Process Simulation Center, California Institute of Technology, CA. (January 2007)
  • "Method for Performing Molecular Dynamic Studies of Systems with High Chemical Reactivity" Department of Chemistry, University of Mississippi, MS. (October 2006)
  • "Methodology for the Molecular Dynamic Studies of Complex Chemical Reactions on Ab Initio Potential Engery Surfaces" Fall American Chemical Society National Meeting, San Francisco, CA. (September 2006)
  • "Aging of PBX 9501: Hydrolysis and Free-Radical Oxidation" Fall American Chemical Society National Meeting, San Francisco, CA. (September 2006)
  • "" 231st National Meeting of the American Chemical Society, Atlanta, GA. (March 2006)
  • "Innovative Methodology for Performing Molecular Dynamic Studies of Systems with High Chemical Reactivity" Fall American Chemical Society National Meeting, San Francisco, CA. (January 2006)
  • "Molecular Dynamic Studies of the Unusual Isotope Effect in the Reaction of A1+ with Isotopic Hydrogen" Joint Southwest/Southeast Regional Meeting of the American Chemical Society, Memphis, TN. (November 2005)
  • "Molecular dynamics simulations of complex gas-phase reactive systems by time-dependent groups" Invited Seminar, University of Georgia. (September 2005)
  • "Toward Molecular Dynamic Simulations of Complex Gas-Phase Reactive Systems on Ab Initio PESs" Jack Simon's Symposium, Park City, UT. (June 2005)
  • "Molecular Dynamics Simulations of Complex Gas-Phase Reactive Systems by Time-Dependent Groups" Department of Chemistry, University of Memphis, Memphis, TN. (September 2004)
  • "Methodology for the Modeling of Chemical Reactions on Accurate Potential Energy Surfaces" National Meeting of the American Chemical Society, Anaheim, CA. (March 2004)
  • "A Completely General Methods for Utilizing Highly Accurate Ab Initio Potentials in Dynamical Calculations" National Meeting of the American Chemical Society, Anaheim, CA. (March 2004)
  • "Probing the Interactions of Ion-Molecule Bimolecular Reactions" 227th National Meeting of the American Chemical Society, Anaheim, CA. (March 2004)

Award/Recognition(s)

  • Provisional Patent (with Michael Johnson, Wendell Duncan, and Jerome Soller Methods for performing molecular dynamic simulations using ab initio quantum mechanical potentials, 2010
  • $65,000 Grant from the Petroleum Research Foundation For the development of accelerated quantum molecular dynamics for complex gas-phase reactive systems, 2008
  • $100,000 Grant from the National Science Foundation For innovative methodology for accelerated quantum molecular dynamics (contributor), 2004