Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings-Reference-Cited by-同舟云学术

Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings

Published:2014-04-23 Issue:4 Volume:19 Page:5301-5312
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Böhm Karl-Heinz,Banert Klaus,Auer Alexander

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

http://www.mdpi.com/1420-3049/19/4/5301/pdf

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3. High-level ab-initio calculation of gas-phase NMR chemical shifts and secondary isotope effects of methanol;Auer;Chem. Phys. Lett.,2009

4. Quantitative prediction of gas-phase (19)F nuclear magnetic shielding constants;Harding;J. Chem. Phys.,2008

5. Quantitative prediction of gas-phase O-17 nuclear magnetic shielding constants;Auer;J. Chem. Phys.,2009

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