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Tiresia: A code for molecular electronic continuum states and photoionization.
Daniele Toffoli
Sonia Coriani
Mauro Stener
Piero Decleva
Published in:
Comput. Phys. Commun. (2024)
Keyphrases
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molecular dynamics simulations
three dimensional
database
source code
initial state
design automation
dna computing
job search
molecular structures