first principle calculations were performed using density functional theory within the local spin density approximation (lsda) to understand the electronic properties of au(100)+tbt system and compare the results with au(100) and bulk au properties. band structure, the total dos and charge density for these materials are calculated. we found that the homo for au(100)+tbt becomes broader than au...

the significance of research article (ra) abstract as a key academic genre has recently motivated analysts to focus on this neglected area. considering a summary function for abstracts, most genre researchers have adopted the conventionally proposed introduction- method- results- discussion (or conclusion) (imrd) model for analysis. however, the problems reported, especially for results and dis...

todays, the parent company has a great role in managing and monitoring subsidiaries and companies in promoting their industrial activities. but, the main problem for pharmaceutical parent companies is the lack of clarity and confusion of responsibilities between units. successful parenting needs to create the element of 'fit' between the ways parent operates – parent characteristics –...

a new metal-organic compound, [fe(pydc)(dmso)(h2o)cl], (where pydc is pyridine-2, 6-dicarboxylate and dmso is dimethyl sulfoxide), has been synthesized and characterized by singlecrystal x-ray diffraction, tga/dta, ir and raman spectroscopy. green-yellow crystals,crystallized in the monoclinic system, space group p21/n, a = 7.2461(4) å, b = 10.3018(4) å, c =17.7667(10) å, α = 90°, β = 90.014°(5...

durability as continuity of identity and dynamism as changing and adaptability to new conditions are important architectural discussions. this paper aims to define the concepts and positions of durability and dynamism in the architectural structure. it seems that it is important to discuss which relations and components of an architectural structure have more effective roles in supporting ident...

the crystal structure of the title schiff base complex is obtained by single-crystal x-ray diffraction data.the solid state structure determination reveals that the coordination geometry around the copper(ii) center istetrahedrally distorted square-planar. the crystal packing shows one dimensional infinite chains which arisesfrom the intermolecular interaction and stabilize the crystal packing.

Today, due to qualitative growth and scientific advances, energy, especially electricity is increasingly needed by human society. One of the almost endless and pure energy which have been paid attention over the years is the solar energy. Solar cells directly convert solar energy into electrical energy and are one of the main blocks of photovoltaic systems. Significant improvement has been made...

The simultaneous effects of soil and existing structures are known as the site-city interaction (structure-soil-structure). The impact of site-city interaction on structure behavior is effective. Thus, this interaction in some regions decreases the responses while increases in other areas. In addition, the site-city interaction of many parameters including the soil type, density rate, height of...