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
DR and SPIT: Statistical approaches for identifying transient structure in intrinsically disordered proteins via NMR chemical shifts

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Redox-powered autonomous directional C–C bond rotation under enzyme control

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Orbital Interactions in Hydrogen Bonds: A Perspective From the Chemical Bond Overlap Model

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Development of a Teaching Approach for Structure Elucidation Using 1D and 2D Homonuclear and Heteronuclear NMR Spectra

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Nonlinear Hydrogen Bond Network in Small Water Clusters: Combining NMR, DFT, FT-IR, and EIS Research

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Spatially Resolved 13C NMR Spectroscopy in Bimesophasic Samples Applied to Molecular Analysis in Orienting Media

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Machine learning in NMR spectroscopy

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Diastereo- and Enantioselective Pd-Catalyzed C–P Coupling for Axially and P-Chiral Phosphine Oxides via Simultaneous Dynamic Kinetic Asymmetric Transformation and Kinetic Resolution

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An Efficient Exciton Coupling Scheme Based on Simplified Time-Dependent Density Functional Theory

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Methodological fallacy in proton mass radius determination: Alternative classical approach based on Einstein’s mass-energy equivalence principle

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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 2136 FWCI255.072

Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**

article Full Text OpenAlex 1236 FWCI118.814

Attenuated T2 relaxation by mutual cancellation of dipole–dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

book-chapter Full Text OpenAlex 957 FWCI9.457

Recent Advances in Catalytic Asymmetric Construction of Atropisomers

review Full Text OpenAlex 786 FWCI15.414

Computational molecular spectroscopy

article Full Text OpenAlex 432 FWCI1.703

DichroWeb, a website for calculating protein secondary structure from circular dichroism spectroscopic data

article Full Text OpenAlex 387 FWCI23.039

Computational molecular spectroscopy

article Full Text OpenAlex 373 FWCI12.478

Synthesis of Atropisomers by Transition-Metal-Catalyzed Asymmetric C–H Functionalization Reactions

article Full Text OpenAlex 323 FWCI27.075

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

article Full Text OpenAlex 307 FWCI33.776

Atroposelective transformation of axially chiral (hetero)biaryls. From desymmetrization to modern resolution strategies

review Full Text OpenAlex 304 FWCI5.909