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Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis.
Álvaro Pérez-Barcia
Gustavo Cárdenas
Juan J. Nogueira
Marcos Mandado
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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statistical analysis
maximum number
user interaction
neural network
data mining
genetic algorithm
image processing
case study
data analysis
decomposition method