Open-shell fragments of graphene have attracted increased attention in recent years because oftheir unique spin carrier property. Through the experimental efforts, these neutral π-radicals could bestabilized by steric protection or delocalized π-conjugated system, such as the phenalenyl-basedmolecules. Here, we use zero sum rule to extend the molecular size and investigate their...

Department of Mechanical Engineering Electro-Communications, Chofu, Tokyo, 182 Department of Mechanical Engineering, Kei 8522, Japan. E-mail: [email protected] Department of Chemistry, University of Neb USA. E-mail: [email protected] † Electronic supplementary informatio distribution, density proles for the hydr and water, and movies for collision or tra DOI: 10.1039/c3nr02024j Cite this: Nano...

Stimulated by a recent experimental report, charge transfer and photophysical properties of donor-acceptor ambipolar polymer were studied with the quantum chemistry calculation and the developed 3D charge difference density method. The effects of electronic acceptor strength on the structure, energy levels, electron density distribution, ionization potentials, and electron affinities were also ...

Since density is considered as one of the most important numerical indices to explain quantitative values of a plant community by affecting on many aspects and activity of ecosystem, on the other hand, awareness about plants distribution pattern in environment is an essential preparation for measurement and study of vegetative cover, therefore, in this research determination of density and dist...

Asymmetry in the electronic structure of low-dimensional carbon nanomaterials is important for designing molecular devices for functions such as directional transport and magnetic switching. In this paper, we use density functional theory to achieve an asymmetric spin distribution in a typical (9,0) carbon nanotube (CNT) by capping the CNT with a fullerene hemisphere at one end and saturating t...

Many systems can be modeled with hard and various size spheres, therefore packing and geometrical structures of such sets are of great importance. In this paper, rigid spherical particles distributed in different sizes are randomly packed in confined spaces, using a parallel algorithm. Mersenne Twister algorithm was used to generate pseudorandom numbers for initial coordination of particles. Di...

Designing optimal microstructures for solid oxide fuel cell (SOFC) electrodes is complicated due to the multitude of electro-chemo-physical phenomena taking place simultaneously that directly affect working conditions of a SOFC electrode and its performance. In this study, a new design paradigm is presented to obtain a balance between electrochemical sites in the form of triple phase boundary (...

Since density is considered as one of the most important numerical indices to explain quantitative values of a plant community by affecting on many aspects and activity of ecosystem, on the other hand, awareness about plants distribution pattern in environment is an essential preparation for measurement and study of vegetative cover, therefore, in this research determination of density and dist...

Ateya and Madhagi (2011) introduced a multivariate form of truncated generalized Cauchy distribution (TGCD), which introduced by Ateya and Al-Hussaini (2007). The multivariate version of (TGCD) is denoted by (MVTGCD). Among the features of this form are that subvectors and conditional subvectors of random vectors, distributed according to this distribution, have the same form of distribution ...

today, many companies have multiple channels, such as sales force, direct mail / catalog, internet and broadcast channels, telephone, etc. for providing goods and services to its customers. multiple distribution channels, despite having benefits, several challenges such as the incidence of conflict, allocation of product, free ride some members have being emerged. the aim of this study was to i...