Aromaticity, antiaromaticity and chemical bonding in the ground (S0), first singlet excited (S1) and lowest triplet (T1) electronic states of disulfur dinitride, S2N2, were investigated by analysing the isotropic magnetic shielding, σiso(r), in the space surrounding the molecule for each electronic state. The σiso(r) values were calculated by state-optimized CASSCF/cc-pVTZ wave functions with 22 electrons in 16 orbitals constructed from gauge-including atomic orbitals (GIAOs). The S1 and T1 electronic states were confirmed as 11Au and 13B3u, respectively, through linear response CC3/aug-cc-pVTZ calculations of the vertical excitation energies for eight singlet (S1–S8) and eight triplet (T1–T8) electronic states. The aromaticities of S

An R-module M is called rationally extending if each submodule of M is rational in a direct summand of M. In this paper we study this class of modules which is contained in the class of extending modules, Also we consider the class of strongly quasi-monoform modules, an R-module M is called strongly quasi-monoform if every nonzero proper submodule of M is quasi-invertible relative to some direct summand of M. Conditions are investigated to identify between these classes. Several properties are considered for such modules

Throughout this paper R represents commutative ring with identity, and M is a unitary left R-module. The purpose of this paper is to study a new concept, (up to our knowledge), named a semi-extending modules, as generalization of extending modules, where an Rmodule M is called semi-extending if every sub module of M is a semi-essential in a direct summand of M. Various properties of semi-extending module are considered. Moreover, we investigate the relationships between semi-extending modules and other related concepts, such as CLS-modules and FI- extending modules.

Density functional theory (DFT) with B3LYP level and 6-311G[Formula: see text] basis sets for light atoms like N and O and SDD basis sets for heavy atoms like Sn is used to examine the interaction of tin dioxide nanocrystals with nitrogen dioxide as a function of temperature from 273[Formula: see text]K to 373[Formula: see text]K through a Gaussian 09W software program. Gibbs free energy, enthalpy, and entropy of activation and reaction are calculated. The situation of transition of SnO₂ clusters toward nitrogen dioxide is investigated. According to the findings, the activation energy of SnO₂ clusters with nitrogen dioxide increases as the temperature rises (in negative value). Gauss view 0

This paper presents a comparison study on thermal performance conic cut twist tape inserts in laminar flow of nanofluids through a constant heat fluxed tube. Three tape configurations, namely, quadrant cut twisted tape (QCT), parabolic half cut twisted tape (PCT), and triangular cut twisted (VCT) of twist ratioy= 2.93 and cut depthde= 0.5 cm were used with 1% and 2% volume concentration of SiO₂/water and TiO

This study includes the preparation of the ferrite nanoparticles Cu_xCe_0.3-XNi_0.7Fe₂O₄ (where: x = 0, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3) using the sol-gel (auto combustion) method, and citric acid was used as a fuel for combustion. The results of the tests conducted by X-ray diffraction (XRD), emitting-field scanning electron microscopy (FE-SEM), energy-dispersive X-ray analyzer (EDX), and Vibration Sample Magnetic Device (VSM) showed that the compound has a face-centered cubic structure, and the lattice constant is increased with increasing Cu ion. On the other hand, the compound has apparent porosity and spherical particles, and t

Throughout this paper we introduce the notion of coextending module as a dual of the class of extending modules. Various properties of this class of modules are given, and some relationships between these modules and other related modules are introduced.

Let R be a commutative ring with unity 1 6= 0, and let M be a unitary left module over R. In this paper we introduce the notion of epiform∗ modules. Various properties of this class of modules are given and some relationships between these modules and other related modules are introduced.