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Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM.
Davide Avagliano
Matteo Bonfanti
Artur Nenov
Marco Garavelli
Published in:
J. Comput. Chem. (2022)
Keyphrases
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frequency domain
user friendly
markov chain
communication protocol
neural network
user interface
image compression
x ray
steady state
levels of abstraction
temporal difference
formal analysis
cross section
authentication protocol