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QSAR Treatment of Electronic Substituent Effects Using Frontier Orbital Theory and Topological Parameters

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What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1099-128x(199609)10:5/6<631::aid-cem451>3.0.co;2-zopenalex-snapshot
Estimation of Hammett sigma constants from calculated atomic charges using partial least squares regression
inferredcites →https://doi.org/10.1002/3527606173openalex-snapshot
Chemical Hardness
inferredcites →https://doi.org/10.1002/9780470171950.ch4openalex-snapshot
Electronic Substituent Effects in Molecular Spectroscopy
inferredcites →https://doi.org/10.1002/jcc.540060511openalex-snapshot
An MNDO treatment of sigma values
inferredcites →https://doi.org/10.1002/jcc.540100109openalex-snapshot
Correlation analysis of substituent effects on the acidity of benzoic acids by the AM1 method
inferredcites →https://doi.org/10.1002/poc.610081002openalex-snapshot
Substitutent effects in monosubstituted benzenes: Semi‐empirical SCF studies of the Hammett constants
inferredcites →https://doi.org/10.1002/qsar.19910100302openalex-snapshot
Validation of QSAR's
inferredcites →https://doi.org/10.1002/qsar.19910100303openalex-snapshot
Theoretical Determination of the Putative Receptor‐bound Conformations of 5‐HT2 Receptor Agonists
inferredcites →https://doi.org/10.1002/qsar.19970160505openalex-snapshot
Simple Quantum Chemical Parameters as an Alternative to the Hammett Sigma Constants in QSAR Studies
inferredcites →https://doi.org/10.1007/978-1-4615-8831-3openalex-snapshot
Correlation Analysis in Chemistry
inferredcites →https://doi.org/10.1007/bf01127805openalex-snapshot
Frontier orbital energies in quantitative structure-activity relationships: A comparison of quantum chemical methods
inferredcites →https://doi.org/10.1007/s001289900111openalex-snapshot
Applications of Frontier Molecular Orbital Energies in QSAR Studies
inferredcites →https://doi.org/10.1016/0223-5234(90)90018-xopenalex-snapshot
Une étude théorique des pKa de quelques imidazolidines apparentées à la clonidine
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/s0031-8914(34)90011-2openalex-snapshot
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
inferredcites →https://doi.org/10.1016/s0045-6535(97)00287-7openalex-snapshot
Using theoretical descriptions in quantitative structure activity relationships: Application to partition properties of alkyl (1-phenylsulfonyl)cycloalkane-carboxylates
inferredcites →https://doi.org/10.1021/ci00001a013openalex-snapshot
A comment on nomenclature and the unsaturated bond
inferredcites →https://doi.org/10.1021/cr00002a004openalex-snapshot
A survey of Hammett substituent constants and resonance and field parameters
inferredcites →https://doi.org/10.1021/cr950202ropenalex-snapshot
Quantum-Chemical Descriptors in QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/ic00277a030openalex-snapshot
Absolute electronegativity and hardness: application to inorganic chemistry
inferredcites →https://doi.org/10.1021/ja00005a074openalex-snapshot
Decakis(2,6-diethylphenyl)decastanna[5]prismane: characterization and molecular structure
inferredcites →https://doi.org/10.1021/ja00171a007openalex-snapshot
Activation hardness: new index for describing the orientation of electrophilic aromatic substitution
inferredcites →https://doi.org/10.1021/ja00231a018openalex-snapshot
Dynamics of ligand escape from the heme pocket of myoglobin
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/ja00364a006openalex-snapshot
ESR study of the electronic structure and dynamic Jahn-Teller effect in nickelocenium cation
inferredcites →https://doi.org/10.1021/ja00877a027openalex-snapshot
Carbon as a Hydrogen Bonding Base and Carbon-Hydrogen-Carbon Bonding
inferredcites →https://doi.org/10.1021/ja01018a024openalex-snapshot
Field and resonance components of substituent effects
inferredcites →https://doi.org/10.1021/ja01025a065openalex-snapshot
Concerning the sigma(sub R).deg. scale of substituent .pi. delocalization parameters. Theory and experiment
inferredcites →https://doi.org/10.1021/ja01166a049openalex-snapshot
The Polymorphism of Certain Behenyl Mixed Triglycerides. A New Metastable Crystalline Form of Triglycerides
inferredcites →https://doi.org/10.1021/jm00163a019openalex-snapshot
Hypoxia-selective antitumor agents. 3. Relationships between structure and cytotoxicity against cultured tumor cells for substituted N,N-bis(2-chloroethyl)anilines
inferredcites →https://doi.org/10.1021/jo00008a029openalex-snapshot
Perimeter model and magnetic circular dichroism of porphyrin analogs
inferredcites →https://doi.org/10.1021/jo00267a035openalex-snapshot
A convenient method for the reduction of ozonides to alcohols with borane-dimethyl sulfide complex
inferredcites →https://doi.org/10.1021/jo00806a024openalex-snapshot
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inferredcites →https://doi.org/10.1021/jo00905a022openalex-snapshot
Ortho effect in hydrolysis of phenyl esters
inferredcites →https://doi.org/10.1021/jo01100a031openalex-snapshot
Electronic Effects and Rates in the Diels-Alder Reaction1
inferredcites →https://doi.org/10.1038/147101a0openalex-snapshot
Physical Organic Chemistry
inferredcites →https://doi.org/10.1038/194178b0openalex-snapshot
Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
inferredcites →https://doi.org/10.1039/jr9570002654openalex-snapshot
515. A simple molecular-orbital treatment of the Hammett ρσ-equation : inductive constants of the common substituents
inferredcites →https://doi.org/10.1063/1.1700392openalex-snapshot
Correlation of Hammett's σ-Values with Electron Densities Calculated by Molecular Orbital Theory
inferredcites →https://doi.org/10.1063/1.1700523openalex-snapshot
A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons
inferredcites →https://doi.org/10.1135/cccc19701371openalex-snapshot
Studies on the inductive effect. VII. Inductive and mesomeric effects of nitrogen and oxygen substituents
inferredcites →https://doi.org/10.3987/com-93-6531openalex-snapshot
Substituent Effects in Frontier Orbitals of Cyclic Hydroxamic Acids
inferredcites →https://doi.org/10.5860/choice.31-0314openalex-snapshot
Frontier orbitals and properties of organic molecules

What points at this work

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

inferred← citeshttps://doi.org/10.1002/0471266949.bmc001openalex-snapshot
History of Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/0471266949.bmc001.pub2openalex-snapshot
History of Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/chin.200102232openalex-snapshot
ChemInform Abstract: QSAR Treatment of Electronic Substituent Effects Using Frontier Orbital Theory and Topological Parameters.
inferred← citeshttps://doi.org/10.1002/poc.579openalex-snapshot
Semi‐empirical studies of substituent effects on the ionization of bicyclooctane carboxylic acids and quinuclidines
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00242-xopenalex-snapshot
Quantitative Structure–Activity Relationship – A Historical Perspective and the Future
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.09.037openalex-snapshot
Synthesis and anti-inflammatory evaluation of novel mono-carbonyl analogues of curcumin in LPS-stimulated RAW 264.7 macrophages
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.01.007openalex-snapshot
Quantitative structure–hydrophobicity relationships of molecular fragments and beyond
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2021.122230openalex-snapshot
Reactions of carboxamides with vinylsilanes under oxidative conditions
inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.02.074openalex-snapshot
Towards a physical interpretation of substituent effect: Quantum chemical interpretation of Hammett substituent constants
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.04.021openalex-snapshot
Synthesis of novel amides, characterization by spectrometric methods, cytotoxic activity and theoretical calculations
inferred← citeshttps://doi.org/10.1021/ci020050iopenalex-snapshot
Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures
inferred← citeshttps://doi.org/10.1021/ci030293qopenalex-snapshot
Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations
inferred← citeshttps://doi.org/10.1021/cr990029popenalex-snapshot
Conceptual Density Functional Theory
inferred← citeshttps://doi.org/10.1021/jo010234gopenalex-snapshot
Comparison of Quantum Chemical Parameters and Hammett Constants in Correlating pKaValues of Substituted Anilines
inferred← citeshttps://doi.org/10.1021/jo052012eopenalex-snapshot
Correlation between Hammett Substituent Constants and Directly Calculated π-Conjugation Strength
inferred← citeshttps://doi.org/10.1021/jp300160gopenalex-snapshot
Is the Hammett’s Constant Free of Steric Effects?
inferred← citeshttps://doi.org/10.1038/s41598-025-29653-4openalex-snapshot
Mechanisms of curcumin adsorption in metal-substituted MOF-74 frameworks using DFT and MD simulations
inferred← citeshttps://doi.org/10.1039/9781849735377-00128openalex-snapshot
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathematics: Tools for QSAR and In Silico Screening Based on the Hydrophobicity of Small Molecules
inferred← citeshttps://doi.org/10.1039/b821042jopenalex-snapshot
Predicting the photoinduced electron transfer thermodynamics in polyfluorinated 1,3,5-triarylpyrazolines based on multiple linear free energy relationships
inferred← citeshttps://doi.org/10.1039/b918311fopenalex-snapshot
Electronically tuned 1,3,5-triarylpyrazolines as Cu(i)-selectivefluorescent probes
inferred← citeshttps://doi.org/10.1039/b9nj00333aopenalex-snapshot
Quantification of substituent effects using molecular electrostatic potentials: additive nature and proximity effects
inferred← citeshttps://doi.org/10.1063/1674-0068/29/cjcp1508173openalex-snapshot
Substituent Effects on Reduction Potentials of Meta-substituted and Para-substituted Benzylideneanilines
inferred← citeshttps://doi.org/10.1134/s0012500810030067openalex-snapshot
Neural network modeling of substituent constants on the basis of fragmental descriptors
inferred← citeshttps://doi.org/10.1201/b16128-12openalex-snapshot
Nitrogen Acids
inferred← citeshttps://doi.org/10.2174/156802612804910278openalex-snapshot
A Survey of Quantitative Descriptions of Molecular Structure
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