Metal organic frameworks (MOFs) have captured immense attention in the last decade,
owing to their better adsorption properties as compared to those of organic as well as …

Metal-organic frameworks (MOFs) have exhibited tremendous potential in catalysis, gas
storage, drug delivery, and sensing due to their high surface area, high porosity, and …

The adsorption performance of hydrogen molecules over the transition metals (TM= Os, Ru,
and Fe)-embedded graphitic carbon nitride (gCN) and also the binding energy of these TM …

Metal–organic frameworks (MOFs) have been a center of interest because of their highly
diverse structural and physicochemical properties. The study of many MOFs requires …

More than 47,000 articles have been published in the area of Metal-Organic Framework
since its seminal discovery in 1995, exemplifying the intense research carried out in this …

This work aims to provide a complete understanding of how different supramolecular
interactions in metal–organic frameworks (MOFs): Hydrogen bonds (HBs), dipole–dipole …

When a many-body wave function of a system cannot be captured by a single determinant,
high-level multireference (MR) methods are required to properly explain its electronic …

Molecular hydrogen (H2) adsorption plays a crucial role in numerous applications, including
hydrogen storage and purification processes. Understanding the interaction of H2 with …

Metal organic frameworks (MOFs) are very exciting porous materials owing to their unique
properties such as high surface areas, high pore volume, tunable functionalities and great …

Among the cutting-edge materials for catalysis, metal-organic frameworks (MOFs) have
become popular. The application has gradually shifted from organic synthesis to …