In the present study, a group contribution model is developed for determination of the vapor pressure of pure chemical compounds at temperatures from 55 to 3040 K. About 42 000 vapor pressure values b
Predicting properties of liquid mixtures is central to chemical engineering, yet accurate predictions from unimolecular properties have proven elusive. Activity models are a popular class of mixture m
Overview This dataset, merged_cinn_dataset.csv, is a consolidated thermodynamic dataset comprising over 287,000 data entries compiled for the training and validation of KANA AI, a deep learning model
This dataset contains the vibrational, rotational, translational, and electronic partition functions for 35,883 organic chemistry molecular structures taken from the Grambow et. al dataset [1]. It was
