Oxidation and reduction reactions govern a wide range of biotic and abiotic processes.
Among these are advanced oxidation processes (AOPs) and advanced reduction processes …

Coordination supramolecular chemistry owes its great expansion to the efforts made in
designing and synthesizing new families of sophisticated multi-nucleating ligands. An …

The geometry variations caused by inter-and intramolecular hydrogen bond (HB) formation
on the molecular fragment acacH (HOCR= CR—CR= 0) contained in the enol form of …

Proton transfer and hydrogen bonding are two aspects of the chemistry of hydrogen that
respectively govern the behaviour and structure of many molecules, both simple and …

Introduction.................................................. Three coordination modes for neutral
molecules.........................(i) Keto-enol tautomerism and the structures of enol …

The'in silico'exploration of chemical, physical and biological systems requires accurate and
efficient energy functions to follow their nuclear dynamics at a molecular and atomistic level …

We elucidate the keto− enol tautomeric equilibrium in acetylacetone, the structure of both
keto and enol forms, and the nature of the intramolecular O− H⊙⊙⊙ O HB in enolic …

Density functional theory calculations were conducted on the title reactions with water
molecules. Malonaldehyde, acetylacetone, and malonic acid were adopted as reactants. A …

The molecular structure of the enol form of gaseous acetylacetone has been determined
from electron diffraction data. The molecular skeleton is planar but it is not symmetric. The …

It has often been postulated that the lowest energy enolic form of Acetylacetone (AcAc)
assumes C s symmetry, ie, has a double-minimum potential possibly exhibiting a low barrier …