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On the Reliability of Global and Local Electrophilicity Descriptors

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Bonded-atom fragments for describing molecular charge densities

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Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels–Alder reactions

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Codesmiths Corporation

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Conceptual Density Functional Theory

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Development of Local Hardness-Related Reactivity Indices: Their Application in a Study of the SE at Monosubstituted Benzenes within the HSAB Context

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The Hard and Soft Acids and Bases Principle: An Atoms in Molecules Viewpoint

inferredcites →https://doi.org/10.1021/ja00279a008openalex-snapshot

The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

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Density functional approach to the frontier-electron theory of chemical reactivity

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Absolute hardness: companion parameter to absolute electronegativity

inferredcites →https://doi.org/10.1021/ja004105dopenalex-snapshot

Solvent Effects on Electrophilicity

inferredcites →https://doi.org/10.1021/ja983494xopenalex-snapshot

Electrophilicity Index

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Critical Study of Local Reactivity Descriptors for Weak Interactions: Qualitative and Quantitative Analysis of Adsorption of Molecules in the Zeolite Lattice

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Intermolecular Reactivity Trends Using the Concept of Group Softness

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Study of Local Hard−Soft Acid−Base Principle to Multiple-Site Interactions

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Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions

inferredcites →https://doi.org/10.1021/jp021664topenalex-snapshot

Nucleophilic Substitution Reaction of Alkyl Halides: A Case Study on Density Functional Theory (DFT) Based Local Reactivity Descriptors

inferredcites →https://doi.org/10.1021/jp034707uopenalex-snapshot

Philicity: A Unified Treatment of Chemical Reactivity and Selectivity

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Stockholders Charge Partitioning Technique. A Reliable Electron Population Analysis Scheme to Predict Intramolecular Reactivity Sequence

inferredcites →https://doi.org/10.1021/jp973450vopenalex-snapshot

Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds

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Site of Protonation in Aniline and Substituted Anilines in the Gas Phase: A Study via the Local Hard and Soft Acids and Bases Concept

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A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

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Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

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Electronegativity: The density functional viewpoint

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A classical fluid-like approach to the density-functional formalism of many-electron systems

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On non-negativity of Fukui function indices

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On non-negativity of Fukui function indices. II

inferredcites →https://doi.org/10.1073/pnas.82.20.6723openalex-snapshot

Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

inferredcites →https://doi.org/10.1073/pnas.95.20.11578openalex-snapshot

Reactivity of the HIV-1 nucleocapsid protein p7 zinc finger domains from the perspective of density-functional theory

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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