In this study, the all-d-metal Heusler compounds Ni2MnT (T = Sc, Ti, V, Cr, Y, Zr, Nb, Mo, Hf, Ta, and W) were considered as representative examples, magnetism-dependent martensitic phase transition was systematically investigated by first-principles calculations. Comparative analysis of calculated magnetic states-dependent elastic parameters, electronic structures, thermodynamic parameters ind...

Background: Free radicals and reactive oxygen species(ROS) are the most important factors in formation of oxidative stress reaction. Now, radical damage has been suggested to contribute to a wide variety of diseases such as Alzheimer, atherosclerosis and cancer. Transition metal ions in the presence of the various biomolecules produce these active compounds. The aim of this study is introducing...

Bioinorganic medicinal chemistry remains a hot field for research aimed at developing novel anti-cancer treatments. Discovery of metal complexes as potent antitumor chemotherapeutics such as cisplatin led to a significant shift of focus toward organometallic/ bioinorganic compounds containing transition metals and their chelates as novel scaffolds for drug discovery. In that way, transition met...

a number of redox-active coordination polymers (cps) or metal-organic frameworks (mofs) have been successfully synthesized using transition metals and bridging ligands. this article aims to deal with gathering the aforementioned disperse issues regarding the electroactive cps. it also goes towards illustrating the effects of various factors on the electrochemical behavior of cps including natur...

A wide range of transition metal imido (TMI) complexes is studied using ab initio molecular orbital (MO) calculations. The main computational point of interest is the further testing of effective core potentials (ECPs) and valence basis sets to allow for the accurate calculation of properties for reasonably sized transition metal complexes. On the chemical side, several results from the study a...

Migratory insertion of carbon-based species into transition-metal-carbon bonds is a mechanistic manifold of vast significance: it underlies the Fischer-Tropsch process, Mizoroki-Heck reaction, Ziegler-Natta and analogous late-transition-metal-catalyzed olefin polymerizations, and a number of carbonylative methods for the synthesis of ketones and esters, among others. Although this type of react...

Metal Insulator transition(MIT) is characterized by the conductivity which will be zero in the insulator phase. In this term paper, we focus on Mott insulator, and a simple theoritical way to describe this MIT is the Hubbard Model .Finally, we will look at the experiments of Mott insulator transition .

Even so, extensive research has been carried out on potential eco-toxic effects of particulate and extensively degraded oxo-biodegradable plastics when mixed with soil. Tests included seed germination and plant growth rates, compared with the same soil without degraded plastics [3,4], the effects on macro-organisms (worms, daphnia, etc.) in the soil [4] and on the accumulation of transition met...