A1 Journal article (refereed)
Comparison of epimeric methyl lithocholate and methyl iso-lithocholate molecules: Single crystal X-ray structure of methyl lithocholate, ab initio HF/6-31G* optimized structures and experimental and calculated DFT/B3LYP 13C NMR chemical shifts (2003)

Virtanen, E., Nissinen, M., Suontamo, R., Tamminen, J., & Kolehmainen, E. (2003). Comparison of epimeric methyl lithocholate and methyl iso-lithocholate molecules: Single crystal X-ray structure of methyl lithocholate, ab initio HF/6-31G* optimized structures and experimental and calculated DFT/B3LYP 13C NMR chemical shifts. Journal of Molecular Structure, 649(3), 207-218. https://doi.org/10.1016/S0022-2860(02)00476-3

JYU authors or editors

Publication details

All authors or editors: Virtanen, Elina; Nissinen, Maija; Suontamo, Reijo; Tamminen, Jari; Kolehmainen, Erkki

Journal or series: Journal of Molecular Structure

Publication year: 2003

Volume: 649

Issue number: 3

Pages range: 207-218

Publication language: English

DOI: https://doi.org/10.1016/S0022-2860(02)00476-3

Publication open access: Not open

Publication channel open access: 

Free keywords: methyl lithocholate; methyl iso-lithocholate; X-ray structure of methyl lithocholate; ab initio HF/6-31G*; DFT/B3LYP; 13C NMR chemical shift

Contributing organizations

Ministry reporting: Yes

Preliminary JUFO rating: Not rated