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Fundamental and Computational Sciences Directorate

Staff information

Jesse Sears

Scientific & Computing Operations
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-98
Richland, WA 99352

PNNL Publications


  • Xue J, NG Isern, RJ Ewing, AV Liyu, JA Sears, Jr, H Knapp, J Iversen, DR Sisk, BK Ahring, and PD Majors. 2014. "New generation NMR bioreactor coupled with high-resolution NMR spectroscopy leads to novel discoveries in Moorella thermoaceticum metabolic profiles." Applied Microbiology and Biotechnology 98(19):8367-8375.  doi:10.1007/s00253-014-5847-8


  • Turcu RVF, DW Hoyt, KM Rosso, JA Sears, Jr, JS Loring, AR Felmy, and JZ Hu. 2013. "Rotor Design for High Pressure Magic Angle Spinning Nuclear Magnetic Resonance." Journal of Magnetic Resonance 226:64-69.  doi:10.1016/j.jmr.2012.08.009


  • Hu JZ, JA Sears, Jr, HS Mehta, JJ Ford, JH Kwak, K Zhu, Y Wang, J Liu, DW Hoyt, and CHF Peden. 2012. "A Large Sample Volume Magic Angle Spinning Nuclear Magnetic Resonance Probe for In-Situ Investigations with Constant Flow of Reactants." Physical Chemistry Chemical Physics. PCCP 14(7):2137-2143.  doi:10.1039/c1cp22692d


  • Hoyt DW, RVF Turcu, JA Sears, Jr, KM Rosso, SD Burton, AR Felmy, and JZ Hu. 2011. "High-pressure Magic Angle Spinning Nuclear Magnetic Resonance ." Journal of Magnetic Resonance 212(2):378-385.  doi:10.1016/j.jmr.2011.07.019
  • Hoyt DW, RVF Turcu, JA Sears, Jr, KM Rosso, SD Burton, JH Kwak, AR Felmy, and JZ Hu. 2011. "IN SITU MAGIC ANGLE SPINNING NMR FOR STUDYING GEOLOGICAL CO(2) SEQUESTRATION ." In 241st National Meeting and Exposition of the American Chemical Society, March 27-31, 2011, Anaheim, California, vol. 241, pp. 245-Fuel.  American Chemical Society, Washington DC. 
  • Kwak JH, JZ Hu, RVF Turcu, KM Rosso, ES Ilton, CM Wang, JA Sears, Jr, MH Engelhard, AR Felmy, and DW Hoyt. 2011. "The Role of H2O in the Carbonation of Forsterite in Supercritical CO2." International Journal of Greenhouse Gas Control 5(4):1081-1092.  doi:10.1016/j.ijggc.2011.05.013
  • Vijayakumar M, SN Kerisit, KM Rosso, SD Burton, JA Sears, Jr, Z Yang, GL Graff, J Liu, and JZ Hu. 2011. "Lithium Diffusion in Li4Ti5O12 at High Temperatures." Journal of Power Sources 196(4):2211-2220. 


  • Ellis PD, JA Sears, Jr, P Yang, M Dupuis, T Boron, V Pecoraro, T Stich, RD Britt, and AS Lipton. 2010. "Solid-State 55Mn NMR Spectroscopy of bis(µ-oxo)dimanganese(IV) [Mn2O2(salpn)2], a Model for the Oxygen Evolving Complex in Photosystem II." Journal of the American Chemical Society 132(47):16727-16729.  doi:10.1021/ja1054252
  • Kwak JH, JZ Hu, DW Hoyt, JA Sears, Jr, CM Wang, KM Rosso, and AR Felmy. 2010. "Metal Carbonation of Forsterite in Supercritical CO2 and H2O Using Solid State 29Si, 13C NMR Spectroscop." Journal of Physical Chemistry C 114(9):4126 - 4134.  doi:10.1021/jp1001308


  • Hu JZ, JA Sears, Jr, JH Kwak, DW Hoyt, Y Wang, and CHF Peden. 2009. "An Isotropic Chemical Shift-Chemical Shift Anisotropic Correlation Experiment Using Discrete Magic Angle Turning." Journal of Magnetic Resonance 198(1):105-110. 
  • Baer DR, MH Engelhard, AR Felmy, JJ Ford, JZ Hu, AS Lea, P Nachimuthu, LV Saraf, JA Sears, Jr, and S Thevuthasan. 2009. "New Approaches for Characterizing Sensor and Other Modern Complex Materials." ECS Transactions 19(6):137-148.  doi:10.1149/1.3118546
  • Vijayakumar M, SN Kerisit, Z Yang, GL Graff, J Liu, JA Sears, Jr, SD Burton, KM Rosso, and JZ Hu. 2009. "A Combined 6,7Li NMR and Molecular Dynamics Study of Li Diffusion in Li2TiO3." Journal of Physical Chemistry C 113(46):20108-20116.  doi:10.1021/jp9072125


  • Cho HM, WJ Shaw, VM Parvanov, GK Schenter, AJ Karkamkar, NJ Hess, CJ Mundy, SM Kathmann, JA Sears, Jr, AS Lipton, PD Ellis, and T Autrey. 2008. "Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3." Journal of Physical Chemistry A 112(18):4277-4283. 



  • Lipton AS, RW Heck, JA Sears, Jr, and PD Ellis. 2004. "Low Temperature Solid-State NMR Experiments of Half-Integer Quadrupolar Nuclides: Caveats and Data Analysis." Journal of Magnetic Resonance 168:66-74. 


  • Lipton AS, JA Sears, Jr, and PD Ellis. 2001. "A General Strategy for the NMR Observation of Half -Integer Quadrupolar Nuclei in Dilute Environments." Journal of Magnetic Resonance 151(1):48-59. 
  • Lipton AS, GW Buchko, JA Sears, Jr, MA Kennedy, and PD Ellis. 2001. "Zn-67 Solid-State NMR Spectroscopy of the Minimal DNA Binding Domain of Human Nucleotide Excision Repair Protein XPA." Journal of the American Chemical Society 123(5):992-993. 

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