71 citations · 187 across the 4 of their papers we have counts for
4 papers
Atomic charges for modeling metal-organic frameworks: Why and how
Said Hamad, Salvador R. G. Balestra, Rocio Bueno-Perez +2
Atomic partial charges are parameters of key importance in the simulation of Metal-Organic Frameworks (MOFs), since Coulombic interactions decrease with the distance more slowly th…
Controlling Thermal Expansion: a Metal Organic Frameworks Route
Salvador R. G. Balestra, Rocío Bueno-Pérez, Said Hamad +3
Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here for the first time, for the u…
Understanding Nanopore Window Distortions in the Reversible Molecular Valve Zeolite RHO
Salvador Rodríguez-Gómez Balestra, Said Hamad, A. Rabdel Ruiz-Salvador +4
Molecular valves are becoming popular for potential biomedical applications. However, little is known concerning their performance in energy and environmental areas. Zeolite RHO sh…
Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis
Said Hamad, Norge C. Hernandez, Alex G. Aziz +3
Metal-organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres and a porous structure that is advantageous for molecul…