We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and ...

calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. in this work studied on the complexingproperties of a ...

Developing next-generation solid sorbents to improve the economy of pre- and post-combustion carbon capture processes has been challenging for many researchers. Magnesium oxide (MgO) is a promising sorbent because of its moderate sorption-desorption temperature and low heat of sorption. However, its low sorption capacity and thermal instability need to be improved. Various metal-promoted MgO so...

In this article, we present a comprehensive theoretical study of solubilities of alkali Li, Na, K, Rb, Cs and alkaline-earth Be, Ca, Sr, Ba metals in the boron-rich Mg-B system. The study is based on first-principles calculations of solutes formation energies in MgB2, MgB4, MgB7 alloys and subsequent statisticalthermodynamical evaluation of solubilities. The advantage of the approach consists i...

Calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. Calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. In this work studied on the complexingproperties of a ...

We extend the application of electron capture dissociation (ECD) (which requires at least two charges) to oligosaccharides without basic functionalities by utilizing alkali, alkaline earth, and transition metals (Na+, K+, Ca2+, Ba2+, Mg2+, Mn2+, Co2+, and Zn2+) as charge carriers in electrospray ionization. Both linear and branched oligosaccharides were examined, including maltoheptoase, p-lact...