专题:Molecular spectroscopy and chirality

This cluster of papers focuses on the application of chiroptical spectroscopic methods, such as vibrational circular dichroism and optical rotation, combined with computational techniques like density functional theory and NMR, for the determination of absolute configuration, conformational analysis, and stereochemistry in organic compounds, particularly natural products. The cluster also explores the role of chiroptical spectroscopy in structure elucidation and its use in studying the chiral properties of molecules.
最新文献
Chirality amplification and chiral segregation in liquid crystals

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DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals

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3-Spherical Conformational Insights into Iminocyclitols with 1-α-D-Ribose and 1-β-L-Ribose Stereochemistry Under Homotopic Behaviour of Nuclear Magnetic Resonance Data

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Discovery of pyridomycin derivatives as InhA inhibitors from actinomycetes through molecular networking and an In-House tandem mass library

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MolDeTr: A Chemistry-Informed Deep Learning Model for Next-Generation Automated Analysis of 1H NMR Spectra

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Spectroscopic Active Probes for Investigation of Lipid Transformation in Cells and Membranes

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Decoding Complex Spectra with Machine Learning: Advances in Spectral Unmixing for Chemical Analysis

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Separation-free enantiodiscrimination of chiral pesticides via dual-stereocenter 19F NMR probes for multicomponent and environmental analysis

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Solvent Matters: Bridging Theory and Experiment in Quantum-Mechanical NMR Structural Elucidation

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Predicting 31 P NMR Shifts in Large-Scale, Heterogeneous Databases by Gas Phase DFT: Impact of Conformer and Solvent Effects

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近5年高被引文献
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

article Full Text OpenAlex 3083 FWCI313.9631

Organocatalytic Atroposelective Synthesis of Indole Derivatives Bearing Axial Chirality: Strategies and Applications

article Full Text OpenAlex 400 FWCI42.0502

Atropisomers beyond the C–C axial chirality: Advances in catalytic asymmetric synthesis

article Full Text OpenAlex 352 FWCI36.5891

Recognition in the Domain of Molecular Chirality: From Noncovalent Interactions to Separation of Enantiomers

review Full Text OpenAlex 301 FWCI31.1642

Atropisomerism in the Pharmaceutically Relevant Realm

article Full Text OpenAlex 282 FWCI28.0983

Organocatalytic Enantioselective Synthesis of Axially Chiral Molecules: Development of Strategies and Skeletons

article Full Text OpenAlex 244 FWCI25.3393

Enantioselective sensing by collective circular dichroism

article Full Text OpenAlex 206 FWCI15.8053

Visualization Analysis of Weak Interactions in Chemical Systems

book-chapter Full Text OpenAlex 198 FWCI167.0642

Asymmetric Synthesis of Axially Chiral C−N Atropisomers

review Full Text OpenAlex 193 FWCI20.2092

Enantioselective Synthesis of Atropisomers via Vinylidene ortho-Quinone Methides (VQMs)

article Full Text OpenAlex 182 FWCI19.0045