RMG database for chemical property prediction

MS Johnson, X Dong, A Grinberg Dana… - Journal of Chemical …, 2022‏ - ACS Publications
The Reaction Mechanism Generator (RMG) database for chemical property prediction is
presented. The RMG database consists of curated datasets and estimators for accurately …

Automating Reaction Mechanism Generation of Halocarbon Combustion and Electrochemical Catalysis

D Farina Jr - 2022‏ - search.proquest.com
The high global warming potentials (GWPs) of current halocarbon flame suppressants and
refrigerants motivate the need for a next-generation of eco-friendly compounds. Since …

[PDF][PDF] The RMG Database for Molecular Property Prediction

WH Green - 2022‏ - dspace.mit.edu
The RMG database for chemical property prediction is presented. The RMG database
consists of curated datasets and estimators for accurately predicting parameters necessary …