Role of molecular modelling in the development of metal-organic framework for gas adsorption applications
Reshma Jose, Garima Bangar, Sourav Pal, Gopalan Rajaraman
Topics & Concepts
Metal-organic frameworkDensity functional theoryAdsorptionNanotechnologyChemistryChemical physicsComputer scienceBiochemical engineeringComputational chemistryMaterials sciencePhysical chemistryEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesMesoporous Materials and Catalysis