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
Pretraining a foundation model for small-molecule natural products

article Full Text OpenAlex

Origin of the 31 P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann–Beckett Method Relate to Lewis Acid Strength?

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Transfer-Matrix Framework for Modeling Mid-Infrared Vibrational Circular Dichroism Spectra

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From Covalent Systems to Bulk Phases: Addressing Structural Complexity with Computational NMR

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Macroscopic foundations of molecular chirality

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Addition and update of compounds for the 2025 Wayne state university compound descriptor database for use with the solvation parameter model

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Chirality amplification and chiral segregation in liquid crystals

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Quantum Cascade Laser–Based Vibrational Circular Dichroism Imaging for Chiral Biosensing

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sbml4md: A computational platform for system–bath modeling via molecular dynamics powered by machine learning

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

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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 3318 FWCI314.7084

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

article Full Text OpenAlex 416 FWCI42.2371

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

article Full Text OpenAlex 367 FWCI36.7475

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

review Full Text OpenAlex 319 FWCI31.3269

Atropisomerism in the Pharmaceutically Relevant Realm

article Full Text OpenAlex 294 FWCI28.1943

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

article Full Text OpenAlex 260 FWCI25.449

Visualization Analysis of Weak Interactions in Chemical Systems

book-chapter Full Text OpenAlex 217 FWCI176.4206

Enantioselective sensing by collective circular dichroism

article Full Text OpenAlex 214 FWCI15.9384

Asymmetric Synthesis of Axially Chiral C−N Atropisomers

review Full Text OpenAlex 197 FWCI20.2957

Chirality of New Drug Approvals (2013–2022): Trends and Perspectives

review Full Text OpenAlex 192 FWCI43.1452