Gomez, Diego A.; Sastre Navarro, German Ignacio(Royal Society of Chemistry, 2011)
[EN] The adsorption of hydrogen in MOFs takes place mainly close to the inorganic secondary building unit (IBU). The adsorption capacities on MIL-88, UiO-66, MIL-47 and MFU-1 were investigated. Quantum chemical calculations ...
Combariza, Aldo F.; Gomez, Diego A.; Sastre Navarro, German Ignacio(Royal Society of Chemistry, 2013)
[EN] Despite the sustained use of forcefield methodologies to study SiO2 polymorphs few reviews on the subject are available in the literature. The present study is an attempt to help fill this gap, focusing on classical ...