In this study, theoretical investigations of Li2MSiO4 family cathode materials, including Li2MnSiO4, Li2FeSiO4, Li2CoSiO4, and Li2NiSiO4 are performed using density functional theory (DFT), by GGA and GGA+U methods. The materials properties including electrical conductivity and rate cap...

In the present study, the interactions of three different lithium species Li+, Li3+ and CH3Li with several different sites of the most stable tautomers of DNA nucleo-bases are presented. This investigation is based on the results of thermochemical properties, Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbi...

the application of ai-li alloy in aerospace and aircrafts industries have a promising future due to its lower density and a comparatible mechanical properties to the other aluminum alloys. the major problems encountered with parts made of al-li alloys, include segregation and brittleness. the presence of a precipitation free zone (pfz) and also the concentration of some elements such as k,na,o,...

This is a survey article for Surveys in Differential Geometry series on the subject of Li-Yau-Hamilton type differential inequalities and related monotonicity formulae.

dft calculations were used to investigate adsorptionof  f-, cl-, li+ and na+ ions on the exterior surface of mg12o12 nanocage in the gas phase and water media. the most favorite position for adsorption of the studied anions and cations are atop of mg and o atoms of mg12o12, respectively. the strongest interaction is obtained when fluoride is located atop of mg atom with the adsorption energy of...

cannabis is one of the most banned drugs in the world. cannabinoid-induced dependence or withdrawal signs are indicated by the result of complex molecular mechanisms including upstream protein kinases (pks), such as an extracellular signal regulated kinase1/2 (erk1/2) and downstream glycogen synthase kinase-3β (gsk-3β), which lead to neuronal plasticity. in this study, we examined the protectiv...