SELFIES and the future of molecular string representations
- Mario Krenn
- Qianxiang Ai
- et al.
- 2022
- Patterns
Publications
7 results for Berend Smit
Optical absorption properties of metal-organic frameworks: Solid state: Versus molecular perspective
- Maria Fumanal
- Clémence Corminboeuf
- et al.
- 2020
- Physical Chemistry Chemical Physics
Charge Separation and Charge Carrier Mobility in Photocatalytic Metal-Organic Frameworks
- Maria Fumanal
- Andres Ortega-Guerrero
- et al.
- 2020
- Advanced Functional Materials
Insights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal-Organic Framework
- Andres Ortega-Guerrero
- Maria Fumanal
- et al.
- 2020
- Chemistry of Materials
Energy-based descriptors for photo-catalytically active metal-organic framework discovery
- Maria Fumanal
- Gloria Capano
- et al.
- 2020
- Journal of Materials Chemistry A
Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials
- Diego A. Gómez-Gualdrón
- Cory M. Simon
- et al.
- 2017
- Chemical Engineering Science
The materials genome in action: Identifying the performance limits for methane storage
- Cory M. Simon
- Jihan Kim
- et al.
- 2015
- Energy and Environmental Science