A Python 3 package to estimate the thermodynamic properties and HKF parameters of neutral aqueous organic molecules using second order group additivity methods. Try AqOrg on the WORM Portal JupyterHub server: worm-portal.asu.eduFunded by NSF EAR Geoinformatics Grant #194903
The Henry\u27s law constant of a chemical solute in water exhibits a maximum value at a temperature ...
Automatic kinetic mechanism generation, virtual high‐throughput screening, and automatic transition ...
Phase equilibrium data are essential for the proper design and operation of most chemical processes....
AqEquil is a Python package that interfaces with aqueous speciation software EQ3/6. Quickly build an...
AqEquil is a Python package that interfaces with aqueous speciation software EQ3/6. Quickly build an...
pyCHNOSZ is a Python 3 package that wraps the functionality of the package CHNOSZ for R. Perform the...
Normalized thermodynamic quantities of water molecules calculated using GIST for the region ‘R’.</p
Aqueous solubility, vapor pressure, and Henry's law constant are among the most important properties...
The thermodynamic properties ΔG°h, ΔH°h, and ΔCp°h associated with the transfer of non-ionic organi...
A new method for the estimation of properties of pure organic compounds is presented. Estimation is ...
This article presents the calculation of the standard enthalpies of vaporization, sublimation and so...
Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase...
PyEt is an open source python package for calculating reference and potential Evapotranspiration for...
EQ3NR is an aqueous solution speciation-solubility modeling code. It is part of the EQ3/6 software p...
The application of a commonly used computer algorithm based on the group-additivity method for the c...
The Henry\u27s law constant of a chemical solute in water exhibits a maximum value at a temperature ...
Automatic kinetic mechanism generation, virtual high‐throughput screening, and automatic transition ...
Phase equilibrium data are essential for the proper design and operation of most chemical processes....
AqEquil is a Python package that interfaces with aqueous speciation software EQ3/6. Quickly build an...
AqEquil is a Python package that interfaces with aqueous speciation software EQ3/6. Quickly build an...
pyCHNOSZ is a Python 3 package that wraps the functionality of the package CHNOSZ for R. Perform the...
Normalized thermodynamic quantities of water molecules calculated using GIST for the region ‘R’.</p
Aqueous solubility, vapor pressure, and Henry's law constant are among the most important properties...
The thermodynamic properties ΔG°h, ΔH°h, and ΔCp°h associated with the transfer of non-ionic organi...
A new method for the estimation of properties of pure organic compounds is presented. Estimation is ...
This article presents the calculation of the standard enthalpies of vaporization, sublimation and so...
Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase...
PyEt is an open source python package for calculating reference and potential Evapotranspiration for...
EQ3NR is an aqueous solution speciation-solubility modeling code. It is part of the EQ3/6 software p...
The application of a commonly used computer algorithm based on the group-additivity method for the c...
The Henry\u27s law constant of a chemical solute in water exhibits a maximum value at a temperature ...
Automatic kinetic mechanism generation, virtual high‐throughput screening, and automatic transition ...
Phase equilibrium data are essential for the proper design and operation of most chemical processes....
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