Density Functional Theory Predictions of Intramolecular Isotope Fractionation of Organic Molecules due to Sorption to Mineral Surfaces.


Allison C Fox, Pennsylvania State University Main Campus, University Park, PA, United States, Heath D Watts, University of Texas at El Paso, Geosciences, El Paso, United States, Hui Yang, Pennsylvania State University Main Campus, Department of Civil and Environmental Engineering, University Park, PA, United States, James Kubicki, University of Texas at El Paso, El Paso, TX, United States and Katherine Freeman, Pennsylvania State University Main Campus, Geosciences, University Park, PA, United States