Supramolecular chemistry is “the chemistry of the intermolecular bond, covering the
structures and functions of the entities formed by association of two or more chemical …

Halogen bonding is a noncovalent interaction that is receiving rapidly increasing attention
because of its significance in biological systems and its importance in the design of new …

The understanding of adsorption of proteins and nucleic acids on clay minerals and their
interactions is important in biological applications for soil ecosystem, the earth's biochemical …

In this work, the advantages of a locally diabatic propagation of the electronic wave function
in surface hop** dynamics proceeding on adiabatic surfaces are presented providing very …

The experimental isolation of H‐bond energetics from the typically dominant influence of the
solvent remains challenging. Here we use synthetic molecular balances to quantify …

Theoretical study of the acetic acid dimer, its microhydration and its behavior in water and
chloroform solution was performed. To characterize the system, we adopted ab initio …

Anion recognition is pertinent to a range of environmental, medicinal and industrial
applications. Recent progress in the field has relied on advances in synthetic host design to …

During the last decade, two-dimensional (2D) nanomaterials have attracted tremendous
interest in many different fields, including electrochemistry, energy storage/conversion …

Abstract Adsorption of 3-(adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-yl) methyl]-1H-1,
2, 4-triazole-5 (4H)-thione (APT) with metal clusters are reported theoretically. APT is found …

This article describes how crystalline or fibrous nanocellulose influences the mechanical
properties of paper substrate. In this context, we used commercially available cellulose …