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Davis Computational Spectroscopy Workflow - From Structure to Spectra.
Lucas S. R. Cavalcante
Luke L. Daemen
Nir Goldman
Adam J. Moulé
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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x ray
infrared
network structure
spectral data
databases
mathematical programming
geometric structure
database
web services
bayesian networks
tree structure
structural information
complex structures
workflow management systems