Over the past decade, pharmaceutical companies have seen a decline in the number of
drug candidates successfully passing through clinical trials, though billions are still spent on …

Quantum mechanical calculations of magnetic behavior in molecules are present in the
literature dating at least as far back as London's treatment of diamagnetic anisotropy in …

Paclitaxel is a well known anticancer compound. Its biosynthesis involves the formation of a
highly functionalized diterpenoid core skeleton (baccatin III) and the subsequent assembly …

The development of green corrosion inhibitors is a challenging task as it has to comply with
strict environmental regulations. Ionic liquids (ILs) have recently been proposed as …

There have been numerous attempts to theoretically design a better photovoltaic property
with much interest on how to improved absorption and emission parameters of most reactive …

Nucleophilic aromatic substitution (SNAr) is one of the most widely applied reaction classes
in pharmaceutical and chemical research, providing a broadly useful platform for the …

The poor aqueous solubility of curcumin (CUR) obstructs its wide utilization in
nutraceuticals, cosmetics, and pharmaceutical companies. This study is dedicated to …

Quantum chemical molecular modeling has become a standard tool in organometallic
chemistry. In particular, density functional theory calculations are now indispensable for …

The construction of O-heterocycles is an important step in organic synthesis and
biosynthesis for producing valuable ring compounds. Although enzyme-catalysed five-or six …

In recent past years, investigation of hierarchical self-assembly for constructing artificial
functional materials has attracted considerable attention. Discrete metallacycles based on …