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Regression Formulas for Density Functional Theory Calculated 1H and 13C NMR Chemical Shifts in Toluene-d8
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Combined NMR Spectroscopy and Quantum-Chemical Calculations in Fluorescent 1,2,3-Triazole-4-carboxylic Acids Fine Structures Analysis
inferred← citeshttps://doi.org/10.3390/molecules25081830openalex-snapshot
Atypical Lindenane-Type Sesquiterpenes from Lindera myrrha
inferred← citeshttps://doi.org/10.3390/molecules27092668openalex-snapshot
DFT Calculations of 31P NMR Chemical Shifts in Palladium Complexes
inferred← citeshttps://doi.org/10.3390/molecules28062449openalex-snapshot
DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking
inferred← citeshttps://doi.org/10.3390/molecules28237729openalex-snapshot
NMR “Finger Prints” of N-Heterocyclic Carbenes, DFT Analysis: Scopes and Limitations
inferred← citeshttps://doi.org/10.3390/molecules29246052openalex-snapshot
DFT Approach for Predicting 13C NMR Shifts of Atoms Directly Coordinated to Pt: Scopes and Limitations
inferred← citeshttps://doi.org/10.3390/molecules31111831openalex-snapshot
Combined DFT Protocol for the Calculation of One-Bond 31P-31P Indirect Nuclear Spin–Spin Couplings
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