An important focus for innovation in photodynamic therapy (PDT) is theoretical
investigations. They employ mostly methods based on Time-Dependent Density Functional …

Developing a green, non-toxic and easy to synthesize of fluorescence probe for fast and
visual detecting trace water in various organic solvents was an important task. Here, a novel …

Water plays a pivotal role in structural stability of supramolecular pigment assemblies
designed for natural light harvesting (for example, chlorosome antenna complex) as well as …

This study aims to cast light on the nature of hydrogen bonds and their cooperativity that
exists in alcohol-water (ROH (H 2 O) n)(R=− CH 3 (− Me),− CH 2 CH 3 (− Et))(n= 1–10) …

The nature of interaction that is present in ion-water (M (H 2 O) n)(M= L i+, N a+, B e 2+, M g
2+)(n= 1–10) clusters are highlighted in the present work. We have used theories of atoms in …

Chiral discrimination, the ability of a chiral molecule to exhibit different weak intermolecular
interactions than its mirror image, is investigated for dimers of oxiranemethanol (glycidol). In …

In support of the International Women's Day 2019 theme “Balance for Better” and to address
gender parity in science, the Journal of Chemical Information and Modeling, for the first time …

Symmetry-adapted perturbation theory (SAPT) and functional-group SAPT (F-SAPT) are
applied to examine differences in interaction energies of diastereoisomeric complexes of …

Zinc-complexed porphyrin and chlorophyll derivatives form functional aggregates with
remarkable photophysical and optoelectronic properties. Understanding the type and …

The biological and chemical processes undergo dependence on interactions between
solvent molecules and solute ions. For instance, electrical potential differences that result …