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O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics.
Nayara D. Coutinho
Valter H. Carvalho-Silva
Heibbe C. B. de Oliveira
Vincenzo Aquilanti
Published in:
ICCSA (5) (2017)
Keyphrases
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molecular dynamics
protein folding
chemical reaction
chemical reactions
high performance computing
molecular dynamics simulations
scientific data
secondary structure
fluid flow
building blocks
amino acids
data analysis
experimental data