Publications and Presentations

Recent Publications

Huber, Timothy B.; Wheeler, R.A.; “Fixed-node diffusion Monte Carlo shows promise for modeling reaction thermochemistry of hydrocarbon-based radicals”; J. Chem. Phys. 2024; 161, 034303/1-12; https://doi.org/10.1063/5.0211903

Wheeler, R.A.; Dalbey, Emily E.; “Structure factor lineshape model gives approximate nanoscale size of polar aggregates in the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluormethylsulfonyl)imide”; Phys. Chem. Chem. Phys. 2021; 23, 9061-9064.

Featured on the cover as one of the best papers in this issue

Mackoy, T.; Kale, B.; Papka, M. E.; Wheeler, R.A.; “viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations”; Comput. Phys. Commun. 2022; 276, 108358-1/-11.

Corrigendum: Comput. Phys. Commun. 2022; 276, 108358-1/-11.

Mackoy, T.; Mauro, N.A.; Wheeler, R.A.; “Temperature dependence of static structure factor peak intensities for a pyrrolidinium-based ionic liquid”; J. Phys. Chem. B 2019, 123, 1672-1678.

Cooper, E.; Shaik, S.; Bautista, D.; Ahmed, A.; Gaetano, C.; Hockman, M.; Kochanek, S.; Jagger, B.R.; Richards, S.; Schmucker, C.; Roeske, L.; Renk, E.; Daley, K.; Romeo, J.; Wilding, M.; Biernesser, A.; Noonan, S.; Matosziuk, L.; Wheeler, R.A.; Vaidyanathan, N.; Johnson, P.; Gawalt, E.S.; Evanseck, J.D.; “Evolution of an AwSOME Chapter”; ACS Symposium Series 2018, 1278 (“Building and maintaining award-winning ACS student member chapters”, Vol. 3); 55-71; American Chemical Society: Washington, DC.

Presentations

University of Oklahoma Department of Chemistry and Biochemistry, Norman, OK, November 14, 2023: " What room-temperature ionic liquids teach us about the structure of liquids.”

Kansas State University Department of Chemistry, Manhattan, KS, November 13, 2023: " What room-temperature ionic liquids teach us about the structure of liquids.”

Western Illinois University Department of Chemistry; Macomb, IL; September 9, 2022; “Disordered nanocrystallite model for the structures of ionic liquids”.

American Chemical Society 263rd National Meeting; Symposium in honor of J. Andrew McCammon’s 70th Birthday; San Diego, CA; March 20, 2022; “Disordered nanocrystallite model for the structures of ionic liquids”.

St. Norbert College Department of Physics; De Pere, WI; October 14, 2021; “Disordered nanocrystallite model for the structures of ionic liquids for battery electrolytes”.

Lawrence University Department of Chemistry; Appleton, WI; October 13, 2021; “Disordered nanocrystallite model for the structures of ionic liquids for battery electrolytes”.

American Chemical Society 258th National Meeting; San Diego, CA; August 26, 2019; “Quantitation and visualization of static structure factor peaks for a phosphonium-based ionic liquid”; ENFL 0116; Mackoy, Travis; Wheeler, R.A.

Coalition for National Science Funding reception; Washington, DC; April 30, 2019 “BELONG in STEM: An educational partnership between Northern Illinois University and the NSF”; Wheeler, R.A.*; LaDue, N.; Hagen, T. (invited poster). 

Argonne National Laboratory; Lemont, IL; April 10, 2019; “Temperature dependence of nanoscale ordering in a pyrrolidinium-based ionic liquid”. 

North Central College; Department of Chemistry and Physics; Naperville, IL; April 1, 2019; “Temperature dependence of nanoscale ordering in a pyrrolidinium-based ionic liquid”.