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Computer-assisted study of the relationship between molecular structure and Henry's law constant

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What this work says

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

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Charge calculations in molecular mechanics IV: A general method for conjugated systems
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Search for all self-avoiding paths for molecular graphs
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On molecular identification numbers
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Solubility in Water of Paraffin, Cycloparaffin, Olefin, Acetylene, Cycloolefin, and Aromatic Hydrocarbons 1
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Ground states of molecules. 38. The MNDO method. Approximations and parameters
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A new empirical method to calculate average molecular polarizabilities
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Structural Determination of Paraffin Boiling Points
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Chance factors in studies of quantitative structure-activity relationships
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Structural effects on rates and equilibriums. XIX. Intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions
inferredcites →https://doi.org/10.1063/1.555654openalex-snapshot
A critical review of Henry’s law constants for chemicals of environmental interest

What points at this work

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

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Chemical Properties Estimation
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Controlling Sensor Reactions
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Bibliography
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Molecular Concepts
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Bibliography
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Prediction of Physicochemical Properties
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Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides
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Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules
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Empirical method for estimation of Henry’s law constant of non-electrolyte organic compounds in water
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Assessing the reliability of a QSAR model's predictions
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Quantitative structure property relationship for Henry's law constant of some alkane isomers
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Radial basis function network-based quantitative structure–property relationship for the prediction of Henry’s law constant
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The development of a quantitative structure property relationship (QSPR) for the prediction of dielectric constants using neural networks
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Predicting Henry's Law constant and the effect of temperature on Henry's Law constant
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On the Calculation of Henry's Law Constants of Chlorinated Benzenes in Water from Semiempirical Quantum Chemical Methods
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Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks
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Predicting Physical−Chemical Properties of Compounds from Molecular Structures by Recursive Neural Networks
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A QSPR Study of the Solubility of Gases and Vapors in Water
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Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure
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Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
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Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
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Bubble Column Apparatus for Gas-Liquid Heterogeneous Chemistry Studies
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Uptake of Haloacetyl and Carbonyl Halides by Water Surfaces
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Application of Quantitative Structure−Performance Relationship and Neural Network Models for the Prediction of Physical Properties from Molecular Structure
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Henry’s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
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Estimation of Water−Organic Interfacial Tensions. A Linear Free Energy Relationship Analysis of Interfacial Adhesion
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Predicting the Genotoxicity of Polycyclic Aromatic Compounds from Molecular Structure with Different Classifiers
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Probabilistic Neural Network Multiple Classifier System for Predicting the Genotoxicity of Quinolone and Quinoline Derivatives
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The Henry's Law Constants of the Haloacetic Acids
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The determination of air/water partition coefficients for alkyl carboxylic acids by a new indirect method
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Hydrogen bonding. Part 34. The factors that influence the solubility of gases and vapours in water at 298 K, and a new method for its determination
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Prediction of Acute Mammalian Toxicity of Organophosphorus Pesticide Compounds from Molecular Structure
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QSPR prediction of physico-chemical properties for REACH
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A critical review of Henry's law constants for environmental applications
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Henry's law constant of hydrocarbons in air–water system: The cavity ovality effect on the non-electrostatic contribution term of solvation free energy
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Contents
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Henry’s Law Constant
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Henry’s Law Constant
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Groundwater Chemicals Desk Reference, 3rd Edition
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Contents
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Alcohols
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Aldehydes and Ketones
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Carboxylic Acids
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Esters
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Nitrogen and Sulfur Compounds
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Agrochemicals Desk Reference
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FIRE HAZARDS
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Modeling of the Henry Constant of a Series of Pesticides: Quantitative Structure-Property Relationship Approach
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Quantitative structure-property relationships for predicting henry's law constant from molecular structure
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Finding and estimating chemical property data for environmental assessment
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The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors
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Physico-Chemical Properties of Green Leaf Volatiles
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The Internal Relation between Quantum Chemical Descriptors and Empirical Constants of Polychlorinated Compounds
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Structure-activity relationships to estimate the effective Henry's law constants of organics of atmospheric interest
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Compilation of Henry's law constants (version 4.0) for water as solvent
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Compilation of Henry's law constants (version 5.0.0) for water as solvent
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Emerging organic contaminants removal by constructed Wetlands : comprehensive meta-analysis and development of decision support tools
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