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Addressing the stereochemistry of complex organic molecules by density functional theory‐ NMR
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds
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Metabolites with a Novel C30 Backbone from Marine Ciliates
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Complete Prediction of the 1H NMR Spectrum of Organic Molecules by DFT Calculations of Chemical Shifts and Spin–Spin Coupling Constants
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Structure Validation of Natural Products by Quantum-Mechanical GIAO Calculations of 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.
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Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann-Averaged GIAO 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.
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Calculation of NMR and EPR Parameters
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A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi
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Toward the Complete Prediction of the 1H and 13C NMR Spectra of Complex Organic Molecules by DFT Methods: Application to Natural Substances
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Broadband proton‐decoupled proton spectra
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Four‐component relativistic chemical shift calculations of halogenated organic compounds
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Homonuclear Broadband-Decoupled NMR Spectra
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The Assignment of Absolute Configuration by NMR
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Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods
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Computational Prediction of 1 H and 13 C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry
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Quantum Mechanical Continuum Solvation Models
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