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
Bilinear Forms, Bilinear Auto-Bäcklund Transformations and Similarity Reductions for a (3+1)-Dimensional Generalized Variable-Coefficient Korteweg-de Vries-Calogero-Bogoyavlenskii-Schiff Equation in Quantum and Fluid Mechanics

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Generalized charges, part II: Non-invertible symmetries and the symmetry TFT

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

review Full Text OpenAlex

Scaffolded Structure Determination Activities Utilizing 2D NMR Spectroscopy of Simple Organic Molecules

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Entanglement dynamics of two non-Hermitian qubits

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“Polytopal Rearrangement Model of Stereoisomerization” and Its Potential as the Basis for a Systematic Model of All Stereoisomerism

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Propensity of water self-ions at air(oil)-water interfaces revealed by deep potential molecular dynamics with enhanced sampling

preprint Full Text OpenAlex

Conformational Analysis of (+)‐Germacrene D‐4‐ol Using the Crystalline Sponge Method to Elucidate the Origin of its Instability

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Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch

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Auto-Bäcklund Transformation and Exact Solutions for a New Integrable (3+1)-dimensional KdV-CBS Equation

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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 2720 FWCI397.05461528

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

article Full Text OpenAlex 1471 FWCI150.00631627

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 956 FWCI8.74866314

Recent Advances in Catalytic Asymmetric Construction of Atropisomers

review Full Text OpenAlex 884 FWCI93.41099761

Computational molecular spectroscopy

article Full Text OpenAlex 437 FWCI1.83836979

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

article Full Text OpenAlex 427 FWCI29.64985788

Computational molecular spectroscopy

article Full Text OpenAlex 391 FWCI16.86506256

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

article Full Text OpenAlex 374 FWCI64.30850099

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

review Full Text OpenAlex 365 FWCI36.48867094

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

article Full Text OpenAlex 357 FWCI37.8155317