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Computational 1 H NMR: Part 3. Biochemical studies.

Leonid B Kridvin
Published in: Magnetic resonance in chemistry : MRC (2019)
This is the third and the last part of three closely interrelated reviews dealing with computation of 1 H nuclear magnetic resonance chemical shifts and 1 H-1 H spin-spin coupling constants. Present review deals with the computation of these parameters in biologically active natural products, carbohydrates, and other molecules of biological origin focusing on stereochemical applications of computational 1 H nuclear magnetic resonance to these objects.
Keyphrases
  • magnetic resonance
  • room temperature
  • density functional theory
  • single molecule
  • contrast enhanced
  • transition metal
  • ionic liquid
  • computed tomography
  • molecular dynamics
  • solid state