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: A thermal rate constant calculator and a chemical kinetics simulator.
David Ferro-Costas
Donald G. Truhlar
Antonio Fernández-Ramos
Published in:
Comput. Phys. Commun. (2020)
Keyphrases
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chemical reaction
chemical reactions
infrared
experimental data
learning algorithm
test bed
simulation model
neural network
real time
data mining
machine learning
artificial intelligence
website
steady state
growth rate
chemical compounds