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Intermolecular Reactivity Trends Using the Concept of Group Softness

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

inferredcites →https://doi.org/10.1002/ijch.199100045openalex-snapshot
Aspects of the Softness and Hardness Concepts of Density‐Functional Theory
inferredcites →https://doi.org/10.1002/jcc.540141112openalex-snapshot
General atomic and molecular electronic structure system
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Group electronegativity and Fukui function studies of the substituent effects in aromatic and inorganic systems
inferredcites →https://doi.org/10.1002/qua.560550604openalex-snapshot
Acidity of first‐ and second‐row hydrides: Effects of electronegativity and hardness
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Energy derivatives in density-functional theory
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The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions
inferredcites →https://doi.org/10.1016/0040-4020(95)00143-vopenalex-snapshot
Acidity of alkyl substituted alcohols: Are alkyl groups electron-donating or electron-withdrawing?
inferredcites →https://doi.org/10.1016/0166-1280(91)89021-ropenalex-snapshot
Quantum-chemical study of the Fukui function as a reactivity index
inferredcites →https://doi.org/10.1016/0306-4549(89)90016-9openalex-snapshot
Density-functional theory of atoms and molecules
inferredcites →https://doi.org/10.1016/s0022-3697(97)00057-7openalex-snapshot
Acidity of substituted hydrofullerenes: Anab initio quantum-chemical study
inferredcites →https://doi.org/10.1016/s0166-1280(96)04762-8openalex-snapshot
Fragment chemistry of the hydrogen thioperoxide molecule; energy, chemical potential and hardness
inferredcites →https://doi.org/10.1021/ed064p561openalex-snapshot
Recent advances in the concept of hard and soft acids and bases
inferredcites →https://doi.org/10.1021/ic50138a053openalex-snapshot
Hard and soft acids and bases
inferredcites →https://doi.org/10.1021/j100032a016openalex-snapshot
Acidity of Halogenated Alcohols and Silanols: Competition of Electronegativity and Softness in Second and Higher Row Atoms
inferredcites →https://doi.org/10.1021/j100062a044openalex-snapshot
Quantum Chemical Study of the Influence of Isomorphous Substitution on the Catalytic Activity of Zeolites: An Evaluation of Reactivity Indexes
inferredcites →https://doi.org/10.1021/j100068a018openalex-snapshot
The Hard and Soft Acids and Bases Principle: An Atoms in Molecules Viewpoint
inferredcites →https://doi.org/10.1021/j100071a010openalex-snapshot
Quantum-Chemical Study of the Acidity of Substituted Acetic Acids with Density Functional Theory Based Descriptors
inferredcites →https://doi.org/10.1021/j100111a018openalex-snapshot
Ab initio determination of substituent constants in a density functional theory formalism: calculation of intrinsic group electronegativity, hardness, and softness
inferredcites →https://doi.org/10.1021/j100119a025openalex-snapshot
Principle of maximum hardness: an accurate ab initio study
inferredcites →https://doi.org/10.1021/j100180a032openalex-snapshot
Bond polarity index: application to group electronegativity
inferredcites →https://doi.org/10.1021/j100894a011openalex-snapshot
The Electronegativity of Groups
inferredcites →https://doi.org/10.1021/ja00005a072openalex-snapshot
Principle of maximum hardness
inferredcites →https://doi.org/10.1021/ja00005a073openalex-snapshot
HSAB principle
inferredcites →https://doi.org/10.1021/ja00162a001openalex-snapshot
Acidities of OH compounds, including alcohols, phenol, carboxylic acids, and mineral acids
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
inferredcites →https://doi.org/10.1021/ja00316a020openalex-snapshot
Electrostatic effects in interactions between hard (soft) acids and bases
inferredcites →https://doi.org/10.1021/ja00326a036openalex-snapshot
Density functional approach to the frontier-electron theory of chemical reactivity
inferredcites →https://doi.org/10.1021/ja00364a005openalex-snapshot
Absolute hardness: companion parameter to absolute electronegativity
inferredcites →https://doi.org/10.1021/ja00514a030openalex-snapshot
Scale of acidities in the gas phase from methanol to phenol
inferredcites →https://doi.org/10.1021/ja00905a001openalex-snapshot
Hard and Soft Acids and Bases
inferredcites →https://doi.org/10.1021/ja974149vopenalex-snapshot
Density-Functional Approach to Hardness Evaluation and Its Use in the Study of the Maximum Hardness Principle
inferredcites →https://doi.org/10.1021/jo972212topenalex-snapshot
The Basicity of p-Substituted Phenolates and the Elimination−Substitution Ratio in p-Nitrophenethyl Bromide: A HSAB Theoretical Study
inferredcites →https://doi.org/10.1021/jp9611840openalex-snapshot
Local Softness as a Regioselectivity Indicator in [4+2] Cycloaddition Reactions
inferredcites →https://doi.org/10.1021/jp970431copenalex-snapshot
The Local Hard−Soft Acid−Base Principle: A Critical Study
inferredcites →https://doi.org/10.1021/jp973450vopenalex-snapshot
Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds
inferredcites →https://doi.org/10.1021/jp9836832openalex-snapshot
Reactivity Index Scale for Interaction of Heteroatomic Molecules with Zeolite Framework
inferredcites →https://doi.org/10.1021/jp984267kopenalex-snapshot
Application of Hard−Soft Acid−Base Principle To Study Brönsted Acid Sites in Zeolite Clusters: A Quantum Chemical Study
inferredcites →https://doi.org/10.1021/jp990576eopenalex-snapshot
The Hammond Postulate and the Principle of Maximum Hardness in Some Intramolecular Rearrangement Reactions
inferredcites →https://doi.org/10.1021/jp993016oopenalex-snapshot
Theoretical Study of the Double Proton Transfer in the CHX−XH···CHX−XH (X = O, S) Complexes
inferredcites →https://doi.org/10.1021/jp9930797openalex-snapshot
Characterization of Keto-Enol Tautomerism of Acetyl Derivatives from the Analysis of Energy, Chemical Potential, and Hardness
inferredcites →https://doi.org/10.1039/a706515iopenalex-snapshot
Group electronegativities from electronegativity equilibration Applications to organic thermochemistry
inferredcites →https://doi.org/10.1063/1.1698901openalex-snapshot
Approximate Formulas for Many-Center Integrals in the Theory of Molecules and Crystals
inferredcites →https://doi.org/10.1063/1.1740588openalex-snapshot
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.449846openalex-snapshot
A classical fluid-like approach to the density-functional formalism of many-electron systems
inferredcites →https://doi.org/10.1063/1.454034openalex-snapshot
Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities
inferredcites →https://doi.org/10.1063/1.555819openalex-snapshot
Pressure and Density Series Equations of State for Steam as Derived from the Haar–Gallagher–Kell Formulation
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.

What points at this work

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

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