专题:Chemical Reactions and Mechanisms

This cluster of papers explores the phenomenon of quantum tunneling in chemical reactions, focusing on nitrenes, carbenes, photochemistry, and organic synthesis. It delves into topics such as heavy-atom tunneling, matrix isolation, and the interplay of experimental and computational chemistry in understanding tunneling control of reactions.
最新文献
Excited-State Dynamics of Pyridine N-Oxides: Photoinduced formation of Oxaziridine Derivatives

preprint Full Text OpenAlex

Formation of Nitrile Imine in the Ground and Excited States from Photolysis of 2-N-Methylpyrrole-5-formylamino-tetrazole

article Full Text OpenAlex

Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic Properties

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Green Synthesis of Sulfonamide Derivatives as Human Carbonic Anhydrase Isoforms I, II, IX, XII Inhibitors and Antioxidants: Comprehensive Insights From Biological Evaluation and In‐Depth In Silico Analysis

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γ-effects identify preferentially populated rotamers of CH2F groups: side-chain conformations of fluorinated valine analogues in a protein

preprint Full Text OpenAlex

Pyrazine π-Hole Interaction Preference in Crystal Structures and Spectroscopic Properties of Crystalline C8/C9 Alkyl-1H-5,6,10b-triazaacephenanthrylene-2-carbonitrile

article Full Text OpenAlex

Review for "Meta-NTf₂ Substituted Diaryliodonium Salts: Novel Nitrogen-Substituted Aryne Precursors for Trapping Reactions and Rearrangements"

peer-review Full Text OpenAlex

Photochemical Metallonitrene Formation for N Atom Transfers. Metal- versus Azide-Centered Excited States and the Role of Their Energetic Order

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Hybrid and Chimeric Heterocycles for the Inhibition of Carbonic Anhydrases

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Cationic Polymerization of Isobutylene by AlCl3 in Polar Solvents at Mild Temperatures

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近5年高被引文献
Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**

review Full Text OpenAlex 565 FWCI16.374

Electronic Spectra of Polyatomic Molecules

book-chapter Full Text OpenAlex 365 FWCI16.461

Chemical reactivity from an activation strain perspective

review Full Text OpenAlex 107 FWCI1.453

The Chemistry of DPPH· Free Radical and Congeners

review Full Text OpenAlex 104 FWCI1.751

Targeted activation in localized protein environments via deep red photoredox catalysis

article Full Text OpenAlex 95 FWCI10.173

Carbonic anhydrase II deficiency

article Full Text OpenAlex 93 FWCI2.669

Isolation and reactivity of an elusive diazoalkene

article Full Text OpenAlex 85 FWCI7.128

Synthesis and Characterization of Binary, Highly Endothermic, and Extremely Sensitive 2,2′-Azobis(5-azidotetrazole)

article Full Text OpenAlex 85 FWCI12

Mechanistic Understanding of Superoxide Radical-Mediated Degradation of Perfluorocarboxylic Acids

article Full Text OpenAlex 83 FWCI10.031

A simple yet multifaceted 90 years old, evergreen enzyme: Carbonic anhydrase, its inhibition and activation

review Full Text OpenAlex 80 FWCI4.155