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José Luís Velázquez-Libera
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Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes
17 December 2024 by
José Luís Velázquez-Libera
and
others
Theoretical and Computational Chemistry
,
Computational Chemistry and Modeling
Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes
13 December 2024 by
José Luís Velázquez-Libera
and
others
Theoretical and Computational Chemistry
,
Computational Chemistry and Modeling
Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes
12 December 2024 by
José Luís Velázquez-Libera
and
others
Theoretical and Computational Chemistry
,
Computational Chemistry and Modeling
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