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Published September 29, 2021 | Version v0.1.11
Software Open

AqOrg v0.1.11

Creators

  • 1. GEOPIG Lab, Arizona State University

Description

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.edu

Notes

Funded by NSF EAR Geoinformatics Grant #1949030

Files

worm-portal/AqOrg-v0.1.11.zip

Files (113.6 kB)

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Additional details

Related works

Is supplement to
https://github.com/worm-portal/AqOrg/tree/v0.1.11 (URL)