Cost-Effective Density Functional Theory (DFT) Calculations of Equilibrium Isotopic Fractionation in Large Organic Molecules

Phys. Chem. Chem. Phys., 2019, Accepted Manuscript DOI: 10.1039/C9CP02975C, PaperMark Alan Iron, Jonathan Gropp The application of stable isotopes to address a wide range of biochemical, microbiological and environmental problems is hindered by the experimental difficulty and the computational cost of determining equilibrium isotopic... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 19, 2019 Category: Chemistry Authors: Mark Alan Iron Source Type: research