Nanomaterials possess unique physical and chemical properties allowing for advancement and innovation in diverse scientific and technological fields. The remarkable magnetic and catalytic properties of these nanomaterials ...

Self-assembly and noncovalent interactions play a pivotal role in the design of complex, and intricate functional structures. Among several design approaches, metal-ligand coordinationdriven self-assembly has emerged as ...

Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ...

Interfaces play an important role in various fields, such as catalysis, charge transfer / electrochemical processes, chemical reactions, molecular electronics, wetting, and biology. Building functional structures with a ...

Singlet Fission (SF) is a bichromophoric process whereby a singlet exciton is converted to two triplet excitons through an overall spin-conserved process. The last decade has seen an upsurge in SF research driven by its ...

More than a century ago, the discovery of aryne intermediates proved to be a valuable addition to the toolkit of organic chemists, enabling the synthesis of a diverse range of molecules using these electrophilic ...

Carbenes exhibit high reactivity as divalent species with six electrons in their valence shell. Their electrophilic nature arises from an incomplete octet. However, when a heteroatom is introduced adjacent to the carbene ...

Supramolecular gels are soft substances made of elastic cross-linked three-dimensional network connected by noncovalent interactions such as hydrogen bonds, hydrophobic interactions, donor-acceptor interactions, π- π ...

This thesis explores the role of nuclear quantum effects in selected systems containing large amplitude motion through path integral simulations. Recent works have explored molecules with such floppy modes and examined ...

A smaller sized dopant replacing a larger sized element in a compound creates chemical pressure, resulting in a contraction of the lattice parameter and likewise a “negative” pressure is created by substitution of larger ...