Detalhe da pesquisa
1.
Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite.
J Am Chem Soc
; 145(1): 247-259, 2023 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36548055
2.
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems.
Philos Trans A Math Phys Eng Sci
; 381(2250): 20220234, 2023 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37211033
3.
Multiscale QM/MM modelling of catalytic systems with ChemShell.
Phys Chem Chem Phys
; 25(33): 21816-21835, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37097706