Density Functional Calculation of the 2D Potential Surface and Deuterium Isotope Effect on 13C Chemical Shifts in Picolinic Acid N-Oxide. Comparison with Experiment-Reference-Cited by-同舟云学术

Density Functional Calculation of the 2D Potential Surface and Deuterium Isotope Effect on 13C Chemical Shifts in Picolinic Acid N-Oxide. Comparison with Experiment

Published:2004-03-16 Issue:13 Volume:126 Page:4437-4443
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Stare Jernej¹,Jezierska Aneta¹,Ambrožič Gabriela¹,Košir Iztok J.¹,Kidrič Jurka¹,Koll Aleksander¹,Mavri Janez¹,Hadži Dušan¹

Affiliation:

1. Contribution from the National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia, and Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, PL-50383 Wroclaw, Poland

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja021345f

Reference39 articles.

1. Characterization and molecular structure of [(PPh3)RhC2B9H11]2, a phosphinorhodacarborane dimer containing rhodium-hydrogen-boron bridges

2. A comparison of methods for the calculation of NMR chemical shifts

3. Low-Barrier Hydrogen Bonds and Enzymic Catalysis

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