We investigated the adsorption of diatomic molecules, CO, NO, and ${\mathrm{O}}_{2}$, denoted by $X\mathrm{O}$ on iron tape-porphyrin (FeTP) using first-principles calculations based density functional theory. In this work, we present structure electronic properties its complexes with ${\mathrm{O}}_{2}$. The binding such molecules to FeTP gave rise significant changes both geometric FeTP. found that in all Fe atom moves out porphyrin plane toward adsorbed molecule. energy iron-diatomic...

Abstract The behavior of a hydrogen atom on Pd 3 Ag(111) surface is investigated by calculating the quantum states via first principles calculation methods. results show that ground state wave function for motion localized fcc hollow site surrounded three atoms. Moreover, activation energies diffusion whole are estimated as 394 and 520 meV classical methods, respectively. Compared with our previous study Pd(111) surface, adsorption energy becomes smaller, while larger result Ag alloying....

In this paper, we present the spatial variability of correlated color temperature lightning channel shown in a digital still image. order to analyze temperature, calculated chromaticity coordinates channels From results, variation was confirmed. Moreover, results suggest that and peak current are related each other.

The ground state energy and the wavefunction of proton in cubic perovskite-type oxides ABO 3 are studied by using double-well potential constructed from one-dimensional O–H–O bond. We have found that when O–O separation between nearest neighbor oxygens becomes lower than 2.9 A spreads over transfers minimum sites potential. calculated activation E a for transfer small polaron model coupled with lattice vibration O–B–O bond-bending mode. is to be =0.56 eV . also B-atom mass dependence...

Abstract We have investigated the electronic properties of iron tape‐porphyrin and its complex with NO. found that at stable position, Fe‐N‐O angle is about 148° . As regards properties, there appears an energy gap between conduction band valence band. attribute these changes in to strong interaction involving d xz , yz zz orbitals Fe atoms π* NO molecule. Copyright © 2008 John Wiley & Sons, Ltd.

We have investigated the electronic and magnetic properties of (3, 3) (4, 4) single-walled carbon nanotubes (SWNTs) filled with 3d transition metal (TM) monatomic chains, using first-principles calculations based on density functional theory to get a thorough understanding atom-filled nanotubes. found that moment TM-filled SWNTs decreases when TM atom changes from smaller atomic radius larger or, diameter SWNT decreases. Specifically, increases as bonding strength between atoms

In this paper, we have evaluated the brightness of lightning leaders shown in a digital still image by applying astronomical magnitude system. order to analyze only leaders, these were extracted from image. For photometry there is no standard reference source such as Vega photometry. Therefore, assuming maximum pixel value 255 (in 256 levels) source, was obtained. The result showed that vary spatially (i.e. 2D spatial variability). Furthermore, suggested low current channel high and magnitude.

In this paper, lightning leaders have been analyzed from a digital still image, by using our new color analysis method. Applying astronomical photometry, indices B–G, B–R and G–R of the were defined B–G= −2.5 log10 FB/FG, B–R= FB/FR G–R= FG /FR. Using brightness V leaders, brightness–color relations (V, B–G), B–R) G–R) obtained. To represent image G–R, 2D index images (B–G)2D, (B–R)2D (G–R)2D It was indicated that channels emit mainly B R band light brightness-color relations, though...

In this study, we present an analysis using the color indices B-G,B-R, and G-R of lightning channels obtained from a digital photograph. We used color-magnitude diagrams (CMDs) modified traditional CMDs employed in astronomical photometry, (B-G) versus (G-R) color-color (CCDs), two-dimensional (2D) color-index images for G-R, 2D brightness image to analyze colors channels. The CCDs leader showed that intensity B-band R-band light those exceeds G-band light. indicate spatial variations...

In present work, we propose the analysis method of lightning based on color analysis. We analyzed digital still images in which cloud-to-ground (CG) and intracloud (IC) flashes are shown. Applying some image processing techniques, extracted channels. Then, correlated temperature (CCT) channels was obtained by mapping pixels to CIE 1931 xy-chromaticity diagram. Our results indicate that CCT changes spatially. Furthermore, it suggests energy

In this work we have developed a lightning simulator. Reproducing the light of lightning, adopted seven waveforms that contains two and five current lightning. Furthermore, simulator can calibrate color simulated output based on correlated temperature (CCT). The CCT range over from $4269$ K to $15042$ K. It is considered useful for test source optical/image sensor observation. Also science education (e.g. physics and/or earth etc.), available. particular, temporal change be slowly seen by...

In this paper, we present the results of a dynamics simulation particles in thundercloud model. As forces acting on particle, gravitational force, coulomb interaction between particles, an air resistance, and force generated by updraft were considered. Moreover, changes particle size charge considered simulation. our results,the separation confirmed dynamical process.

The DV-Xα method is applied in a study of the electronic states α-AgI and α-CuBr by making use model cluster M 4 X 15 (M=Ag, Cu; X=I, Br). By calculating cation–cation distance dependence bond overlap population we have found that cation–anion bonding are both covalent-like bonding, while anion–anion not bonding. Especially, strongly influenced distance. From result for density states, it has been comfirmed strength p – d hybridization between cation– anion– orbitals large these α-CuBr.

In this study, we formulated the brightness relation of two digital photos captured by a single camera and verified it experimentally. The experimental results suggested that used zoom lens has an intrinsic error, thereby making accurate photometry difficult. However, dividing error lens, performing is possible. with derived, magnitude system in astronomical are applicable to widespread general photometry.