Recent trends on density functional theory–assisted calculations of structures and properties of metal–organic frameworks and metal–organic frameworks-derived nanocarbons
Oxana V. Kharissova, Boris I. Kharisov, Lucy T. González
Topics & Concepts
Materials scienceMetal-organic frameworkDensity functional theoryNanotechnologyMetalMetallurgyComputational chemistryPhysical chemistryAdsorptionChemistryMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceAdvanced NMR Techniques and Applications