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Determination of Absolute Configurations of Bedaquiline Analogs by Quantum Chemical Electronic Circular Dichroism Calculations and an X‐ray Diffraction Study
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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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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Computing chiroptical properties with first‐principles theoretical methods: Background and illustrative examples
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SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra
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Regiolone and Isosclerone, Two Enantiomeric Phytotoxic Naphthalenone Pentaketides: Computational Assignment of Absolute Configuration and Its Relationship with Phytotoxic Activity
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A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910
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Conformational isomerization of N-(naphthalen-1-yl)-N-(phenyl(quinolin-3-yl)methyl)amide derivatives
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Synthesis, crystal, computational study and in vitro anti-tuberculosis activity of N-(furan-2-yl-methyl)-N-(phenyl(quinolin-3-yl)methyl) acetamide derivatives
inferredcites →https://doi.org/10.1016/j.saa.2013.10.011openalex-snapshot
Study on molecular structure, spectroscopic investigation (IR, Raman and NMR), vibrational assignments and HOMO–LUMO analysis of L-sodium folinate using DFT: A combined experimental and quantum chemical approach
inferredcites →https://doi.org/10.1016/j.tet.2009.05.024openalex-snapshot
Quantum chemical CD calculations of dioncophylline A in the solid state
inferredcites →https://doi.org/10.1021/jp000705nopenalex-snapshot
Cavity Ring-Down Polarimetry (CRDP): A New Scheme for Probing Circular Birefringence and Circular Dichroism in the Gas Phase
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Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules
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A Single Chiroptical Spectroscopic Method May Not Be Able To Establish the Absolute Configurations of Diastereomers: Dimethylesters of Hibiscus and Garcinia Acids
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TDDFT Studies on the Electronic Structures and Chiroptical Properties of Mono-Tin-Substituted Wells–Dawson Polyoxotungstates
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Importance of Solvation in Understanding the Chiroptical Spectra of Natural Products in Solution Phase: Garcinia Acid Dimethyl Ester
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Absolute Configurations of Fungal and Plant Metabolites by Chiroptical Methods. ORD, ECD, and VCD Studies on Phyllostin, Scytolide, and Oxysporone
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Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Design, Synthesis and Biological Evaluation of Anti-tuberculosis Agents based on Bedaquiline Structure
inferred← citeshttps://doi.org/10.3389/fntpr.2022.1086897openalex-snapshot
Computational methods and points for attention in absolute configuration determination
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Synthesis, Crystal Structure, Absolute Configuration and Antitumor Activity of the Enantiomers of 5-Bromo-2-chloro-N-(1-phenylethyl)pyridine-3-sulfonamide
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Design and Stereochemical Research (DFT, ECD and Crystal Structure) of Novel Bedaquiline Analogs as Potent Antituberculosis Agents
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Stability Indicating HPTLC Method for Bedaquiline Fumarate
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