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Property-oriented basis sets for computation of atomization energies.
Victor García
David Zorrilla
Manuel Fernández
Jesús Sánchez-Márquez
Published in:
J. Comput. Chem. (2021)
Keyphrases
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higher order
graph cuts
energy function
pairwise
markov random field
real time
feature selection
website
multiscale
objective function
data structure
energy minimization
desirable properties
closed sets
global consistency
set theoretic