Position-Specific 2H/H Equilibrium Isotopic Fractionation Factors in Alkane, Alkene, and Aromatic Molecules: A Density Functional Theory Approach

Author:

Watts Heath D.1ORCID,Kubicki James D.1ORCID,Pedentchouk Nikolai2,Freeman Katherine H.3ORCID

Affiliation:

1. Department of Earth, Environmental & Resource Sciences, University of Texas at El Paso, El Paso, Texas 79968, United States

2. School of Environmental Sciences, University of East Anglia, Norwich Research Park, Norwich NR4 7TJ, U.K.

3. Department of Geosciences, The Pennsylvania State University, University Park, Pennsylvania 16803, United States

Funder

Basic Energy Sciences

National Aeronautics and Space Administration

Publisher

American Chemical Society (ACS)

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