Deep understanding of the inherent luminescence mechanism is essential for the
development of aggregation‐induced emission (AIE) materials and applications. We first …

The design and development of functional materials with real-life applications are highly
demanding. Understanding and controlling inter-and intra-molecular interactions provide …

Conspectus Room-temperature phosphorescence (RTP) with a long afterglow from purely
organic molecular aggregates has recently attracted many investigations because …

Biochar (BC) are widely used as highly efficient adsorbents to alleviate aromatics-based
contaminants due to their ease of preparation, wide availability, and high sustainability. The …

The sorption of ionic and ionizable organic compounds (IOCs)(eg, pharmaceuticals and
pesticides) on carbonaceous materials plays an important role in governing the fate …

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and
Applications | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log …

Since the original fitting of Grimme's DFT-D3 dam** parameters, the number and quality of
benchmark interaction energies has increased significantly. Here, conventional benchmark …

Noncovalent interactions are essential for the existence of solid and liquid phases. 1, 2
Traditionally touted as weak forces, quantification of these interactions, which govern the …

We have studied the cation–π interactions of neutral aromatic ligands with the cationic
amino acid residues arginine, histidine and lysine using ab initio calculations, symmetry …

Symmetry‐adapted perturbation theory (SAPT) is a well‐established method to compute
accurate intermolecular interaction energies in terms of physical effects such as …