Theoretical calculation of position-specific carbon isotope fractionation of several organic compounds

刘 琪; 尹 新雅; 刘 耘; 吉田 尚弘

doi:10.14862/geochemproc.64.0_205

2017年度日本地球化学会第64回年会講演要旨集

DOI https://doi.org/10.14862/geochemproc.64.0_205

会議情報

主催: 日本地球化学会年会要旨集

G10　最先端計測・同位体化学の地球化学及び境界領域への応用

Theoretical calculation of position-specific carbon isotope fractionation of several organic compounds

*刘琪, 尹新雅, 刘耘, 吉田尚弘

著者情報

キーワード: isotope, organic compound, position-specific

会議録・要旨集フリー

p. 205-

詳細

抄録

This study provides the position-specific carbon isotope fractionation at equilibrium of several organic compounds obtained by using quantum chemistry methods (e.g., propane, acetic acid, etc.). Our calculation are performed at CCSD/6-311+G(3df,3pd) by using Gaussian 09 program without scaling frequencies.

責任著者(Corresponding author)

J-STAGEへの登録はこちら（無料）