Three-component conformational equilibria of some flexible pyrrolidin-2-(thi)ones in solution by NMR data (δC, δH, and nJHH) and their DFT predictions: a confrontation of different approaches-Reference-Cited by-同舟云学术

Three-component conformational equilibria of some flexible pyrrolidin-2-(thi)ones in solution by NMR data (δC, δH, and nJHH) and their DFT predictions: a confrontation of different approaches

Published:2011-09 Issue:36 Volume:67 Page:6901-6916
ISSN:0040-4020
Container-title:Tetrahedron
language:en
Short-container-title:Tetrahedron

Author:

Nazarski Ryszard B.,Pasternak Beata,Leśniak Stanisław

Publisher

Elsevier BV

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Reference183 articles.

1. Calculation of the structure and nuclear magnetic shielding constants of some H-bonded carbon acid complexes

2. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

3. Modeling NMR Parameters by DFT Methods as an Aid to the Conformational Analysis of cis-Fused 7a(8a)-Methyl Octa(hexa)hydrocyclopenta[d][1,3]oxazines and [3,1]benzoxazines

4. Calculation of NMR and EPR Parameters. Theory and Applications,2004

5. The quantum-chemical calculation of NMR indirect spin–spin coupling constants

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Anti-inflammatory dihydroxanthones from a Diaporthe species;Biological Chemistry;2021-08-02

2. Summary of DFT calculations coupled with current statistical and/or artificial neural network (ANN) methods to assist experimental NMR data in identifying diastereomeric structures;Tetrahedron Letters;2021-05

3. Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights;Organic Chemistry Frontiers;2021

4. Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements;The Journal of Organic Chemistry;2018-03-01

5. Shortfall of B3LYP in Reproducing NMR J CH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study on DFT Functionals;ChemPhysChem;2018-01-12