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An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2.
Diego Sorbelli
Paola Belanzoni
Leonardo Belpassi
Ji-Woong Lee
Gianluca Ciancaleoni
Published in:
J. Comput. Chem. (2022)
Keyphrases
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state transition
state transitions
search strategies
transition model
real world
dynamic programming
mathematical programming
selection strategies