Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR
- Autor: De Oliveira M., Alves J., Braga A., Wilson D., Barboza C.A.
- Tytuł publikacji: Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR
- DOI: https://doi.org/10.1021/acs.jctc.1c00604
- Rok: 2021
- Podkategoria: Journal of Chemical Theory and Computation