Position-specific and clumped isotope equilibria in propane: Ab initio calculations beyond the harmonic and Born-Oppenheimer approximations-Reference-Cited by-同舟云学术

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

Published:2024-07 Issue: Volume:657 Page:122107
ISSN:0009-2541
Container-title:Chemical Geology
language:en
Short-container-title:Chemical Geology

Author:

Yin Xinya,Zhang Yining,Liu Qi,Gilbert Alexis,Liu Feixiang,Gao Caihong,Zhang Siting,Ridley Moira K.,Liu Yun

Funder

National Natural Science Foundation of China

China National Space Administration

Chinese Academy of Sciences

Publisher

Elsevier BV

Reference100 articles.

1. Calculation of equilibrium constants for isotopic exchange reactions;Bigeleisen;J. Chem. Phys.,1947

2. Urban leakage of liquefied petroleum gas and its impact on mexico-City air-quality;Blake;Science,1995

3. Isotopic partition function ratios involving H2, H2O, H2S, H2Se, and NH3;Bron;Z. Naturforsch.,1973

4. The theoretical prediction of molecular radical species: a systematic study of equilibrium geometries and harmonic vibrational frequencies;Byrd;J. Phys. Chem. A,2001

5. Theoretical estimation of the equilibrium distribution of clumped isotopes in nature;Cao;Geochim. Cosmochim. Acta,2012

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1. Theoretical and experimental constraints on hydrogen isotope equilibrium in C1-C5 alkanes;Geochimica et Cosmochimica Acta;2024-08

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