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Computer Simulation of Porous Materials: Current Approaches and Future Opportunities
Edited by Kim Jelfs
- DOI:
http://dx.doi.org/10.1039/9781839163319
Chapter 2: Structure Prediction of Porous Materials
- DOI:
http://dx.doi.org/10.1039/9781839163319-00027
Chapter 3: Atomistic Simulations of Mechanical Properties
- DOI:
http://dx.doi.org/10.1039/9781839163319-00079
Chapter 4: Modelling Sorption and Diffusion Behaviour in Porous Solids
- DOI:
http://dx.doi.org/10.1039/9781839163319-00122
Chapter 5: Spectroscopic and Catalytic Properties
- DOI:
http://dx.doi.org/10.1039/9781839163319-00215
Chapter 6: Machine Learning in Porous Materials
- DOI:
http://dx.doi.org/10.1039/9781839163319-00265