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Computational 1 H NMR: Part 2. Chemical applications
Author(s) -
Krivdin Leonid B.
Publication year - 2020
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4896
Subject(s) - chemistry , chemical shift , coupling constant , computational chemistry , molecule , nuclear magnetic resonance spectroscopy , stereochemistry , organic chemistry , quantum mechanics , physics
Abstract This is the second one of three closely interrelated reviews dealing with computation of 1 H NMR chemical shifts and 1 H– 1 H spin–spin coupling constants prepared for Magnetic Resonance in Chemistry . Presented in this review are some basic notes and illustrative examples of how modern computational 1 H NMR could be used for structural elucidation and stereoelectronic studies of the medium‐sized organic molecules involving saturated, unsaturated, aromatic, and heteroaromatic compounds together with their functional derivatives and coordination complexes to get deeper insight into their stereochemical structure and stereodynamic behavior.