专题：Organic Chemistry Cycloaddition Reactions

This cluster of papers focuses on understanding the reactivity of organic molecules, particularly in the context of cycloaddition reactions and asymmetric epoxidation. It explores concepts such as electrophilicity, nucleophilicity, and density functional theory to quantitatively characterize and comprehend the mechanisms of these reactions.
最新文献
Topology Meets Reactivity: Rationalizing Electron Rearrangements in Cycloadditions Through Thom’s Polynomials and Bonding Evolution Theory

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Performing a Relative Interacting Atomic Energy Analysis of the Diels-Alder Reaction between Butadiene and Ethylene

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Synthesis, Physicochemical and Computational Analysis of Tris(fluoromethyl)alkyl Building Blocks

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Photochemical Rearrangements of Pyridine N-Oxides: Pathways to Oxaziridine Derivatives

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Unraveling unusual torquoselectivity in ring-opening electrocyclic reactions: a DFT perspective

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Zwitterionic Pathway in the Diels–Alder Reaction: Solvent and Substituent Effects from ωB97XD/6-311G(d) Calculations

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Application of DFT models for the prediction of geometries and energies of the transition states in [4+2]-π -electron cycloadditions

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Crystallographic characterization of products of side reactions encountered during synthesis of cyanoximes

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On the question of the transformation of amino acids into aldimine N-oxides (nitrones): molecular electron density theory (MEDT) considerations

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Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels–Alder Reactivity

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近5年高被引文献
2-Oxabicyclo[2.1.1]hexanes as saturated bioisosteres of the ortho-substituted phenyl ring

article Full Text OpenAlex 145 FWCI22.0737

Electrophilicity index revisited

review Full Text OpenAlex 126 FWCI12.3398

Density functional theory, chemical reactivity, and the Fukui functions

article Full Text OpenAlex 115 FWCI11.357

Visible light-responsive materials: the (photo)chemistry and applications of donor–acceptor Stenhouse adducts in polymer science

review Full Text OpenAlex 114 FWCI11.082

Electrophilicity and nucleophilicity scales at different DFT computational levels

article Full Text OpenAlex 110 FWCI16.8114

Heteroatom-Based Diradical(oid)s

review Full Text OpenAlex 107 FWCI10.4433

Double Strain-Release [2π+2σ]-Photocycloaddition

article Full Text OpenAlex 99 FWCI26.2457

Switching between the [2π+2σ] and Hetero‐[4π+2σ] Cycloaddition Reactivity of Bicyclobutanes with Lewis Acid Catalysts Enables the Synthesis of Spirocycles and Bridged Heterocycles

article Full Text OpenAlex 97 FWCI25.4975

The Interplay between Kinetics and Thermodynamics in Furan Diels–Alder Chemistry for Sustainable Chemicals Production

review Full Text OpenAlex 89 FWCI9.2434

Conceptual Density Functional Theory

book-chapter Full Text OpenAlex 86 FWCI95.4959