Addendum: A guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts
Patrick H. Willoughby, Matthew J. Jansma, Thomas R. Hoye
Topics & Concepts
Conformational isomerismChemical shiftDensity functional theoryComputational chemistryMoleculeDiastereomerInterpretation (philosophy)GaussianChemistryComputationPhysicsComputer scienceStereochemistryAlgorithmQuantum mechanicsPhysical chemistryProgramming languageMolecular spectroscopy and chiralityAnalytical Chemistry and ChromatographyAdvanced NMR Techniques and Applications