Density Functional Theory/GIAO Studies of the 13C, 15N, and 1H NMR Chemical Shifts in Aminopyrimidines and Aminobenzenes: Relationships to Electron Densities and Amine Group Orientations-Reference-Cited by-同舟云学术

Density Functional Theory/GIAO Studies of the 13C, 15N, and 1H NMR Chemical Shifts in Aminopyrimidines and Aminobenzenes: Relationships to Electron Densities and Amine Group Orientations

Published:1997-09-01 Issue:37 Volume:119 Page:8699-8711
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Barfield Michael¹,Fagerness Paul¹

Affiliation:

1. Contribution from the Department of Chemistry, University of Arizona, Tucson, Arizona 85721, and Drug Metabolism Research, Pharmacia and Upjohn Incorporated, Kalamazoo, Michigan 49001

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja970990x

Reference71 articles.

1. C13 Nuclear Magnetic Resonance Spectroscopy. II. Phenols, Anisole and Dimethoxybenzenes

2. Structure of Hexagonal Silver Iodide

3. Carbon-13 Magnetic Resonance. VI.1a Theory of Carbon-13 Magnetic Resonance Shifts in Aromatic Molecules1b

4. Calculation of the carbon-13 and proton chemical shifts in pyridine

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