Unraveling the Metastability of Cn2+ (n = 2–4) Clusters

QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)

DFT and QTAIM computations have been performed on numbers of pure nitrogen cluster speciesi.e. Nn (n = 4, 6) for investigating the structure and bonding. This study is critical since thesemolecules have been nominated as the good synthetic targets of High Energy Materials (HEM).0nthe other hand the decomposition mechanism is closely depends on the bonding pattern. Thislatter concept was searche...

Why do Bimetallic Clusters have more Chemical Reactivity? Study the VnNim (2 ≤ n + m ≤ 6) Clusters as the Nano Species

This article gives you proof that bimetallic transition metal clusters with the difference in electronegativity are better catalysts than monoatomic one. To prove this fact, a study of ethylene adsorption on bimetallic clusters vanadium-nickel VnNim (2≤n+m≤6) has been demonstrated. Our result shows that hardness has a quite good linear correlation with the non-Lewis of VnNi (n=1-5) cluster (R2=...

Metastability of fcc-related Si-N phases

Clusters, Metastability, and Nucleation: Kinetics of First-Order Phase Transitions

We describe and interpret computer simulations of the time evolution of a binary alloy on a cubic lattice, with nearest neighbor interactions favoring like pairs of atoms. Initially the atoms are arranged at random; the time evolution proceeds by random interchanges of nearest neighbor pairs, using probabilities compatible with the equilibrium Gibbs distribution at temperature T. For temperatur...

Unraveling the mechanism of protein N-glycosylation.

Asparagine-linked glycosylation is the most ubiquitous protein co-translational modification in the endoplasmic reticulum (ER). The enzyme that catalyzes this process is called oligosaccharyl transferase (OT). It catalyzes the transfer of an oligosaccharyl moiety (Glc3Man9GlcNAc2) from the dolichol-linked pyrophosphate donor to the side chain of Asn within a consensus sequence of Asn-X-Thr/Ser,...