Benchmarking DFT-GGA calculations for the structure optimisation of neutral-framework zeotypes

By M. Fischer, F. Evers, F. Formalik, A. Olejniczak. Theoretical Chemistry accounts, 2016

51 citations recorded by the source corpus.

Subfields: Ceramics and Composites, Electronic, Optical and Magnetic Materials, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/473550871331f7ca04266c56759a8ce511818da8