Position-specific and clumped isotope equilibria in propane: Ab initio calculations beyond the harmonic and Born-Oppenheimer approximations

X Yin, Y Zhang, Q Liu, A Gilbert, F Liu, C Gao, S Zhang… - Chemical …, 2024 - Elsevier
Position-specific and clumped isotope compositions that reveal intramolecular isotope
distributions can offer novel insights into the physical and chemical properties of substances …