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DFT computational schemes for 1H and 13C NMR chemical shifts of natural products, exemplified by strychnine

https://doi.org/10.1002/mrc.4922
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Assignment of 13C-NMR spectra of strychnine and brucine
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13C NMR spectral studies of arecoline, hordenine, strychnine and brucine
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Pattern recognition of geminal proton nonequivalence and second‐order coupling in 13C single‐frequency off‐resonance decoupled spectra. Assignment criteria and structure elucidation
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Carbon‐13 n.m.r. analysis of selected strychnos alkaloids
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Carbon‐13 n.m.r. spectroscopy of some Strychnos alkaloids
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Carbon‐13 NMR spectroscopy of some Strychnos alkaloids. Part 2
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On the accuracy factors and computational cost of the GIAO–DFT calculation of 15N NMR chemical shifts of amides
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Theoretical calculations of carbon-hydrogen spin-spin coupling constants
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Computational protocols for calculating 13C NMR chemical shifts
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The use of locally dense basis sets in correlated NMR chemical shielding calculations
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Relativistic Force Field: Parametrization of 13C–1H Nuclear Spin–Spin Coupling Constants
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Calculation of NMR Spin–Spin Coupling Constants in Strychnine
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Quantum Mechanical Continuum Solvation Models
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Carbon-13 nuclear magnetic resonance spectroscopy of naturally occurring substances. 56. Strychnos alkaloids
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Experimental and Theoretical Investigation of 1JCC and nJCC Coupling Constants in Strychnine
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Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
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Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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