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A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction
Soler, Jordi, González-Lafont, Ãngels, Lluch, José MYear:
2020
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/D0CP05265E
File:
PDF, 1.62 MB
2020