Comparison of calculated DFT/B3LYP and experimental 13C and 17O NMR chemical shifts, ab initio HF/6-31G* optimised structures, and single crystal X-ray structures of some substituted methyl 5β-cholan-24-oates-Reference-Cited by-同舟云学术

Comparison of calculated DFT/B3LYP and experimental 13C and 17O NMR chemical shifts, ab initio HF/6-31G* optimised structures, and single crystal X-ray structures of some substituted methyl 5β-cholan-24-oates

Published:2003-05 Issue:1-3 Volume:650 Page:201-212
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Virtanen E.,Valkonen A.,Tamminen J.,Kolehmainen E.

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference36 articles.

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3. Substituted methyl 5β-cholan-24-oates. I—17O NMR spectral characterization

4. 17O NMR spectroscopic investigation of steroids at natural abundance

5. Oxygen-17 nuclear magnetic resonance spectroscopy of polyoxometalates. 1. Sensitivity and resolution

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