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Marcel Baer

Chemical Physics & Analysis
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352

PNNL Publications

2013

  • Baer MD, and CJ Mundy. 2013. "An ab initio approach to understanding the specific ion effect." Faraday Discussions 160(0):89-101.  doi:10.1039/C2FD20113E
  • Devanathan R, NB Idupulapati, MD Baer, CJ Mundy, and M Dupuis. 2013. "Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane." Journal of Physical Chemistry B 117(51):16522-16529.  doi:10.1021/jp410229u
  • Stern AC, MD Baer, CJ Mundy, and DJ Tobias. 2013. "Thermodynamics of Iodide Adsorption at the Instantaneous Air-Water Interface." Journal of Chemical Physics 138(11):114709.  doi:10.1063/1.4794688
  • Tobias DJ, AC Stern, MD Baer, Y Levin, and CJ Mundy. 2013. "Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces." Annual Review of Physical Chemistry 64:339-359.  doi:10.1146/annurev-physchem-040412-110049

2012

  • Baer MD, AC Stern, Y Levin, DJ Tobias, and CJ Mundy. 2012. "Electrochemical Surface Potential due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface." The Journal of Physical Chemistry Letters 3(11):1565-1570.  doi:10.1021/jz300302t
  • Kimmel GA, MD Baer, NG Petrik, J VandeVondele, RJ Rousseau, and CJ Mundy. 2012. "Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO2(110): Anisotropy and the Hydrogen-Bonding Network." The Journal of Physical Chemistry Letters 3(6):778-784.  doi:10.1021/jz3001079

2011

  • Baer MD, and CJ Mundy. 2011. "Toward an Understanding of the Speci?c Ion Effect using Density Functional Theory." The Journal of Physical Chemistry Letters 2(9):1088-1093.  doi:10.1021/jz200333b
  • Baer MD, CJ Mundy, MJ McGrath, IFW Kuo, JI Siepmann, and DJ Tobias. 2011. "Re-Examining the Properties of the Aqueous Vapor-Liquid Interface Using Dispersion Corrected Density Functional Theory." Journal of Chemical Physics 135(12):Article No. 124712.  doi:10.1063/1.3633239
  • Baer MD, TV Pham, JL Fulton, GK Schenter, M Balasubramanian, and CJ Mundy. 2011. "Is Iodate a Strongly Hydrated Cation?" The Journal of Physical Chemistry Letters 2(20):2650-2654.  doi:10.1021/jz2011435
  • Lewis T, B Winter, AC Stern, MD Baer, CJ Mundy, DJ Tobias, and JC Hemminger. 2011. "Dissociation of strong acid revisited: X-ray photoelectron spectroscopy and molecular dynamics simulations of HNO3 in water." Journal of Physical Chemistry B 115(30):9445-9451.  doi:10.1021/jp205510q
  • Lewis T, B Winter, AC Stern, MD Baer, CJ Mundy, DJ Tobias, and JC Hemminger. 2011. "Does Nitric Acid Dissociate at the Aqueous Solution Surface?" Journal of Physical Chemistry C 115(43):21183-21190.  doi:10.1021/jp205842w

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