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Selected Publications

Educational initiatives

  1. Williamson, Vickie; Hegarty, Mary; Deslongchamps, Ghislain; Williamson, Kenneth; Shultz, Mary Jane, "Identifying Student Use of Ball-and-Stick Images versus Electrostatic Potential Map Images via Eye Tracking" J. Chem. Ed. 2013, 90, 159-164
  2. Hinze, Scott R.; Rapp, David N.; Williamson, Vickie M.; Shultz, Mary Jane; Deslongchamps, Ghislain; Williamson, Kenneth C., "Beyond the Ball-And-Stick: Students' Processing of Novel STEM Visualizations" Learning and Instruction 2013, 26, 12-21
  3. Hinze, S. R., Williamson, V. M., Shultz, M. J., Williamson, K. C., Deslongchamps, G., Rapp, D. N. , "When do spatial abilities support student comprehension of STEM visualizations?" Cognitive Processing – The International Quarterly of Cognitive Science 2013, in press
  4. Hinze, Scott; Williamson, Vickie; Deslongchamps, Ghislain; Shultz, Mary; Williamson, Ken; Rapp, David, "Textbook Treatments of Electrostatic Potential Maps in General and Organic Chemistry" submitted 2012
  5. Hinze, Scott R.; Rapp, David N.; Williamson, Vickie M.; Shultz, Mary Jane; Williamson, Kenneth C.; Deslongchamps, Ghislain Unlocking potential: Individual differences in the use of concurrent scientific visualizations in Proceedings of the 33rd Annual Conference of the Cognitive Science Society Carlson, L., C. Hoelscher and Shipley, T. F., Ed.; (Cognitive Science Society: Austin, TX, 2011), pp 2723-2726.
  6. Shultz, Mary Jane; Kelly, Matthew; Paritsky, Leonid; Wagner, Julia, "A Theme-Based Course: Hydrogen as the Fuel of the Future" J. Chem. Ed. 2009, 86, 1051-1053.
    Abstract >
  7. Stieff, Mike; Hegarty, Mary; Deslongchamps, Ghislain; Shultz, Mary; Williamson, Vickie, "Coordinating Multiple Representations in Scientific Problem Solving: Evidence from Concurrent Verbal and Eye-Tracking Protocols" Learning & Instruction 2008, submitted  Abstract >
  8. Shultz, Mary Jane, Materials Chemistry:  A Case Studies Discovery-Based Approach Laboratory in (Houghton Mifflin, Inc., Boston, 2006 (copyright 2007).  
  9. Shultz, Mary Jane, General Chemistry for Engineers: An Applied Approach in   (Houghton Mifflin, Inc., Boston, MA, 2006 (copyright 2007).
  10. Shultz, Mary Jane, Instructor's Manual and Demonstration Guide to Accompany General Chemistry for Engineers in   (Houghton Mifflin, Boston, 2005).  
  11. Shultz, Mary Jane, Student Study Guide and Solutions Manual to Accompany General Chemistry for Engineers in   (Houghton Mifflin, Boston, 2005).

H-Bonding

  1. Shultz, Mary Jane; Bisson, Patrick; Buch, Victoria; Groenzin, Henning; Li, Irene, "Aqueous Hydrogen Bonding Probed with Polarization and Matrix Isolation Spectroscopy" submitted 2009  Abstract >

Room Temperature Matrix Isolation

  1. Maron, Marta K.; Shultz, Mary Jane; Vaida, Veronica, "Characterization of the nitric acid-water complex in the infrared and near-infrared region at ambient temperatures in carbon tetrachloride" Chem . Phys. Lett. 2009, 473, 268-273. Abstract >
  2. Bisson, Patrick; Xiao, Han; Kuo, Margaret; Kamelamela, Noelani; Shultz, Mary Jane, "Ions and Hydrogen Bonding in a Hydrophobic Environment: CCl4" submitted 2009  Abstract >
  3. Kuo, Margaret; Kamelamela, Noelani; Shultz, Mary Jane, "Rotational Structure of Water in a Hydrophobic Environment: Carbon Tetrachloride" J. Phys. Chem. A 2008, 112, 1214-1218.  Abstract >
  4. Kuo, Margaret Hsinjui; David, Alexander; Kamelamela, Noelani; White, Mike; Shultz, Mary Jane, "Nitric Acid-Water Interaction Probed via Isolation in Carbon Tetrachloride" J. Phys. Chem. C 2007, 111, 8827-8831.  Abstract >

Feature Articles and Reviews

  1. Shultz, Mary Jane Sum Frequency Generation: An Introduction plus Recent Developments and Current Issues in Advances in Multiphoton Proc. Spec.; Lin, S. H., Villaeys, A. A. and Fujimura, Y., Ed.; (World Scientific: Singapore, Japan, 2008); Vol. 18, pp 133-200.  Abstract >
  2. Gopalakrishnan, Sandhya; Liu, Dingfang; Allen, Heather C.; Kuo, Margaret; Shultz, Mary Jane, "Vibrational Spectroscopic Studies of Aqueous Interfaces: Salts, Acids, Base, and Nanodrops" Chem. Rev. 2006, 106, 1155-1175.  Abstract >

Clathrate and Water

  1. Vu, Tuan Hoang; Shultz, Mary Jane, "Vibrating Hydroxide in Hydrophobic Solution: The Ion to Keep an Eye On" J. Chem. Phys. 2013, to appear Editor's Choice.
  2. Vu, Tuan; Shultz, Mary Jane, "Towards the Mechanism of Cyclopentane Clathrate Nucleation - A Vibrational Perspective" submitted 2012
  3. Shultz, Mary Jane; Vu, Tuan Hoang; Meyer, Bryce; Bisson, Patrick, "Water: A Responsive Small Molecule" Accts. Chem. Res. 2012, 45, 15-22 Most accessed Q1.
  4. Vu, T. H.; Shultz, M. J. Spectroscopic identification of propane clathrate nucleation and inhibition by methanol in Physics and Chemistry of Ice 2011; Furukawa, Y., Ed.; (Hokkaido University Press, 2011), pp 147-152.
  5. Vu, Tuan; Shultz, Mary Jane, "Competitive Binding of Methanol and Propane for Water Via Matrix Isolation Spectroscopy: Implications for Inhibition of Clathrate Nucleation" J. Phys. Chem. A 2011, 115, 998-1002
  6. Vu, T. H.; Shultz, M. J. Spectroscopic identification of propane clathrate nucleation and inhibition by methanol in Physics and Chemistry of Ice 2010; Furukawa, Y., Ed.; (Hokkaido University Press, 2011), pp 147-152.
  7. Vu, Tuan; Shultz, Mary Jane, "Competitive Binding of Methanol and Propane for Water Via Matrix Isolation Spectroscopy: Implications for Inhibition of Clathrate Nucleation" J. Phys. Chem. A 2011, 115, 998-1002.
  8. Vu, Tuan; Kälin, Sarah; Shultz, Mary Jane, "Spectroscopic Identification of Water-Propane Interaction: Implications for Clathrate Nucleation" J. Phys. Chem. A 2010, 114, 6356-6360.

Ice

  1. Bisson, Patrick; Shultz, Mary Jane, "The prism face of ice Ih via Sum Frequency Vibrational Spectroscopy" J. Phys. Chem. A 2013, in press
  2. Shultz, M. J.; Bisson, P. Polarization spectroscopy insights into surface bonding in hexagonal ice: implications for interactions with ice in Physics and Chemistry of Ice 2011; Furukawa, Y., Ed.; (Hokkaido University Press, 2011), pp 453-458.
  3. Barnett, Irene Li; Groenzin, Henning; Shultz, Mary Jane, "Hydrogen-Bonding in the Hexagonal Ice Surface " J. Phys. Chem. A 2011, 115, 6039-6045
  4. Shultz, M. J.; Bisson, P. Polarization spectroscopy insights into surface bonding in hexagonal ice: implications for interactions with ice in Physics and Chemistry of Ice 2010; Furukawa, Y., Ed.; (Hokkaido University Press, 2011), pp 453-456.
  5. 2) Barnett, Irene Li; Groenzin, Henning; Shultz, Mary Jane, "Hydrogen-Bonding in the Hexagonal Ice Surface" J. Phys. Chem. A 2011, 115, to appear.
  6. Li, Irene; Groenzin, Henning; Buch, Victoria; Shultz, Mary Jane, "Surface Modes of Hexagonal Ice Probed by Sum Frequency Generation Spectroscopy" in preparation
  7. Groenzin, Henning; Li, Irene; Shultz, Mary Jane, "Sum-frequency generation: polarization surface spectroscopy analysis of the vibrational surface modes on the basal face of ice Ih" J. Chem. Phys. 2008, 128, 214510-1 thru 214510-8.  Abstract >
  8. Buch, V.; Groenzin, H.; Li, I.; Shultz, M. J.; Tosatti, E., "Proton order in the ice crystal surface" PNAS 2008, 105, 5969-5974.  Abstract >
  9. Groenzin, H.; Li, Irene; Shultz, Mary Jane Sum Frequency Generation on Single-Crystalline Ice Ih in Physics and Chemistry of Ice; Kuhs, W., Ed.; (Royal Society of Chemistry: Cambridge, UK, 2007); Vol. 11, pp 190-199.
  10. Groenzin, Henning; Li, Irene; Buch, Victoria; Shultz, Mary Jane, "The Single Crystal, Basal Face of Ice Ih Investigated with Sum Frequency Generation" J. Chem. Phys. 2007, 127, 214502 pgs1-8.  Abstract >
  11. Buch, V.; Tarbuck, T.; Richmond, G. L.; Groenzin, H.; Li, I.; Shultz, M. J., "Sum Frequency Generation surface spectra of ice, water and acid solution investigated by an exciton model" J. Chem. Phys. 2007, 127, 204710 pgs1-15.  Abstract >

SFG

  1. Shultz, Mary Jane; Bisson, Patrick; Groenzin, Henning; Li, Irene, "Multiplexed polarization spectroscopy: measuring surface hyperpolarizability orientation" J. Chem. Phys. 2010, 133, 054702:1-11.

Aqueous surfaces

  1. Shultz, Mary Jane; Bisson, Patrick; Buch, Victoria; Groenzin, Henning; Li, Irene, "Aqueous Hydrogen Bonding Probed with Polarization and Matrix Isolation Spectroscopy" J. Mol. Struct. 2010, 972, 51-58.

Liquid Solutions

  1. Shultz, Mary Jane; Baldelli, Steve; Schnitzer, Cheryl; Simonelli, Danielle "Water Confined at the Liquid-Air Interface"; in Water in Confining Geometries, Buch, V. and Devlin, P. ed.;(Springer-Verlaag: Amsterdam, 2003).  Abstract >
  2. Shultz, Mary Jane; Baldelli, Steve; Schnitzer, Cheryl; Simonelli, Danielle, "Aqueous Solution/Air Interfaces Probed with Sum Frequency Generation Spectroscopy" J. Phys. Chem. B 2002, 106, 5315-5324.  Abstract >
  3. Shultz, Mary Jane, "Review of Liquid Interfaces in Chemical, Biological, and Pharmaceutical Applications." J. Am. Chem. Soc. 2001, 123, 10143.
  4. Danielle Simonelli and Mary Jane Shultz, "Temperature Dependence for the Raman Cross Section of the Ammonia/Water Complex," Journal of Molecular Spectroscopy, 205, 221 - 226, 2001. Abstract >
  5. Danielle Simonelli and Mary Jane Shultz, "Sum Frequency Generation Orientation Analysis of Molecular Ammonia on the Surface of Concentrated Solutions" Journal of Chemical Physics, 112, 6804 - 6816, 2000. Abstract >
  6. Mary Jane Shultz, Cheryl Schnitzer, Danielle Simonelli, and Steve Baldelli, "SFG Spectroscopy of the Aqueous Interface: Ionic and Soluble Molecular Solutions," International Reviews in Physical Chemistry, 19, 123 - 153, 2000. Abstract >
  7. Cheryl Schnitzer, Steve Baldelli, and Mary Jane Shultz, "Sum Frequency Generation of Water on NaCl, NaNO3, KHSO4, HCl, HNO3 and H2SO4 Aqueous Solutions," Journal of Physical Chemistry B, 104, 585 - 590, 2000. Abstract >
  8. Cheryl Schnitzer, Steve Baldelli, and Mary Jane Shultz, "Sum Frequency Generation by Water on Supercooled H2SO4/H2O Liquid Solutions at Stratospheric Temperatures," Chemical Physics Letters, 313, 416 - 420, 1999. Abstract >
  9. Cheryl Schnitzer, Steve Baldelli, Deborah Campbell, and Mary Jane Shultz, "Sum Frequency Generation of O-H Vibrations on the Surface of H2O/HNO3 Solutions and Liquid HNO3," Journal of Physical Chemistry, 103, 6383 - 6386, 1999. Abstract >
  10. Danielle Simonelli, Steve Baldelli, Mary Jane Shultz, "Ammonia-Water Complexes on the Surface of Aqueous Solutions Observed with Sum Frequency Generation" Chemical Physics Letters, 298, 400, 1999. Abstract >
  11. Steve Baldelli, Cheryl Schnitzer, Mary Jane Shultz, "The Structure of Water on HCl Solutions Studied with Sum Frequency Generation," Chemical Physics Letters, 302, 157, 1999. Abstract >
  12. Steve Baldelli, Cheryl Schnitzer, Mary Jane Shultz, "First Spectroscopic Evidence for Molecular HCl on a Liquid Surface with Sum Frequency Generation," Journal of Chemical Physics, 108, 9817, 1998. Abstract >
  13. Steve Baldelli, Deborah Campbell, Cheryl Schnitzer, Mary Jane Shultz, "Effect of H2SO4 and Alkali Metal SO42-/HSO4- Salt Solutions on Surface Water Molecules Using Sum Frequency Generation" Journal of Physical Chemistry 103, 2789, 1999. Abstract >
  14. Steve Baldelli, Deborah Campbell, Cheryl Schnitzer, Mary Jane Shultz, "Sum Frequency Generation Investigation of Water at the Surface of H2O/H2SO4 and H2O/Cs2SO4 Binary Systems," Chemical Physics Letters, 287, 143, 1998. Abstract >
  15. Steve Baldelli, Cheryl Schnitzer, Mary Jane Shultz, Deborah Campbell, "Sum Frequency Generation Investigation of Water at the Surface of H2O/H2SO4 Binary Systems" Journal of Physical Chemistry B, 101, 10435, 1997. Abstract >
  16. Steve Baldelli, Deborah Campbell, Cheryl Schnitzer, Mary Jane Shultz, "Sum Frequency Generation Investigation of Glycerol/Water Surfaces" Journal of Physical Chemistry B, 101, 4607, 1997. Abstract >

TiO2

  1. Shultz, Mary Jane; Asong, Nkeng, "TiO2 Based Photo Catalysts: Evidence for Electron Transfer by Iron" Curr. Inorg. Chem. 2012, 2, 115-123
  2. Dukes, Faith M.; Iuppa, Elizabeth; Meyer, Bryce; Shultz, Mary Jane, "Differing Photo-Oxidation Mechanisms: Electron Transfer in TiO2 vs. Iron-Doped TiO2" Langmuir 2012, 28, 16933-16940
  3. Asong, Nkengafeh; Dukes, Faith; Wang, Chuan-yi; Shultz, Mary Jane, "Iron doped TiO2 probed by methanol adsorption and sum frequency generation" Chem. Phys. 2007, 339, 86-93.  Abstract >
  4. Wang, Chuan-yi; Groenzin, Henning; Shultz, Mary Jane, "Comparative Study of Acetic Acid, Methanol, and Water Adsorbed on Anatase TiO2 Probed by Sum-Frequency Generation Spectroscopy" J. Am. Chem. Soc. 2005, 127, 9736-9744.  Abstract >
  5. Li, Irene; Bandera, Jayasundera; Shultz, Mary Jane, "Time Evolution Studies of the H2O/Quartz Interface using Sum Frequency Generation (SFG), AFM, and Molecular Dynamics" Langmuir 2004, 20, 10474-10480.  Abstract >
  6. Wang, Chuan-yi; Groenzin, Henning; Shultz, Mary Jane, "Surface Characterization of Nanoscale TiO2 Film by Sum Frequency Generation Using Methanol as a Molecular Probe" J. Phys. Chem. B 2004, 108, 265-272.  Abstract >
  7. Wang, Chuan-yi; Groenzin, Henning; Shultz, Mary Jane, "Direct Observation of Competitive Adsorption between Methanol and Water on TiO2: An in situ Sum-Frequency Generation Study" J. Am. Chem. Soc. 2004, 126, 8094-8095.
  8. Wang, Chuan-yi; Groenzin, Henning; Shultz, Mary Jane, "Molecular Species on Nano-Particle Anatase TiO2 Film Detected by Sum Frequency Generation: Trace Hydrocarbons and Hydroxyl Groups" Langmuir 2003, 19, 7330-7334.  Abstract >
   
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