The structural and electronic states of defective complexes in the Si 29 cluster with participation carbon hydrogen atoms were determined by method non-conventional strong binding (MNSB) combination molecular dynamics. It is shown that silicon clusters form a bridge bond two localized hexagonal position at center cell, forming defect : C i type. introduction into results formation -H-Si complex...

We have developed a new class of lanthanide nano-clusters that self-assemble using flexible Schiff base ligands. Cd–Ln and Ni–Ln clusters, [Ln8Cd24(L )12(OAc)39Cl7(OH)2] (Ln 1⁄4 Nd, Eu), [Eu8Cd24(L)12(OAc)44], [Ln8Cd24(L)12(OAc)44] (Ln 1⁄4 Nd, Yb, Sm) and [Nd2Ni4(L )2(acac)6(NO3)2(OH)2], were constructed using different types of flexible Schiff base ligands. These molecular nano-clusters exhibi...

We investigate the structure of optical field radiated by disordered nano-emitters randomly incorporated in three-dimensional cluster a percolation material. Our numerical studies shown that temporal variations inverse participation ratio (IPR) allow analyzing extended and localized structures over long time range. The properties IPR dynamics lasing emitters to find characteristic scales when l...

There are only a handful reports about the sensor systems having the ability of detecting the existence of the noble gases. Chemical reluctance of these gaseous species causes them to have no chemical interactions like hydrogen bonding with the chemically designed nano-sized sensors. Noble gasses usually have no atomic charges nor do change the total polarity of the molecular sensor systems. Th...

The palladium oxide cluster Pd(6)O(4)(+) is formed as the sole product upon reaction of a bare palladium cluster Pd(6)(+) with molecular oxygen in an octopole ion trap under multicollision conditions. This oxide cluster is found to be resistant to further oxidation over a large temperature range, and further O(2) molecules merely physisorb on it at cryogenic temperatures. The particular stabili...

We carry out a theoretical investigation to clarify the dynamic property of photo-created nano-sized ferroelectric cluster observed in the paraelectric BaTiO3 as a real time correlation of speckle pattern between two soft X-ray laser pulses, at just above the paraelectricferroelectric phase transition temperature. Based on a model with coupled soft X-ray photon and ferroelectric phonon mode, we...

Theoretical analysis and Computer simulations have proven to be cost-effective and powerful tools in scientific studies of materials, particularly at nano-scale where synthesis of nano-structures, interpretation of their observed character and exploration of new structures are not always straight forward. We present here fundamental principles of techniques used today for computational simulati...

Conventional protein kinase Cs (cPKCs) are key signaling proteins for transducing intracellular Ca2+ signals into downstream phosphorylation events. However, the lifetime of individual membrane-bound activated cPKCs is an order of magnitude shorter than the average time needed for target-protein phosphorylation. Here, we employed intermolecular Förster resonance energy transfer (FRET) in living...

Introduction: At least some meteoritic nano-diamonds are likely of presolar origin because of their association with anomalous Xe-HL and Te isotopic components indicative of a supernova (SN) origin [1,2]. But the abundance of Xe is such that only ~1 in 10 6 nano-diamonds contains a Xe atom, and the bulk 13 C/ 12 C composition of nano-diamond acid residues is chondritic (solar) [3]. Therefore, i...