Sharif Digital Repository

Due to the long physical distance between the users and the cloud data centers, the idea of considering fog layer was established to bring computations closer to the edge of the network, and provide a solution for latency-sensitive applications. In such applications, the tasks are offloaded, and assigned to the available virtual machines in the cloud or fog layers, which directly contribute to Quality of Service (QoS) requirements. Among various applications, the real-time applications require their tasks to finish before their deadlines. Therefore, an assignment or a scheduling algorithm is needed to assign incoming tasks to virtual machines in cloud or fog layer. Most of the research on... 

Quantum calculation based on the density functional theory (DFT) level and 6-311++G (d,p) basis set was employed to study the relation between the structure and radical scavenging activity of a series of hydroxybenzohydroxamic acid derivatives, namely: [HU]; hyroxyurea, [TX]; 3,4,5-trihydroxybenzamidoxime, [DX]; 3,4-dihydroxybenzohydroxamic acid, [4-HBA]; 4-hydroxybenzohydroxamic acid, [2,3-DHBA]; 2,3-Dihydroxybenzohydroxamic acid, [3,5-DHBA]; 3,5-Dihydroxybenzohydroxamic acid and [2-HBA]; 2-hydroxybenzohydroxamic acid in the gas phase, water and benzene environments. The hydrogen bond property of the studied structures and their radicals as well as radical cations was investigated using... 

One of the main uranium separations of ore that uranium percent application of enhanced design strategies in the industrial cracking furnaces are of practical interest for oil, gas and petrochemical industries. For such engineering purposes the exact simulation of temperature, species concentration and flow fields in the furnace is essential. In this paper, a study was performed to simulate 3D flue gas flow pattern, temperature and species concentration field in the radiation section of an industrial cracking furnace using the computational fluid dynamics (100-500) ppm technique. The steady-state Reynolds Averaged Navier–Stokes (Resin in pulp)equations were solved, in a finite volume scheme,... 

This thesis is divided into two parts: In part I, which is theoretical part, we were looking for a computational method which is extensively comparable with experimental results to determine pKa of wide variety of organic compounds. The pKa is an important property in many sciences such as chemistry, biology, and material science, since inclination of a compound to donate or accept a proton is fundamental to understanding many chemical and biochemical processes. Experimentally determined pKa values are not always available from literature sources and often estimated values are employed in their place. It is useful, therefore, to have reliable and accurate means of calculating relative and/or... 

Hydrogen bonding is an important weak interaction encountered in gas and liquid, as well as solid phase. The hydrogen bond plays a very vital role in many life processes and is one of the most frequently used terms in chemistry and biology. Beta diketones have several applications in organic, inorganic and analytical chemistry. Different substituents can affect the acidity of beta diketones. Investigation have shown that hydroxyl function group can increase the acidity of many organic molecules through interamolecular hydrogen bonding. The goal of this project is to investigate the acidity of hydroxyl containing beta diketones in the gas and solution phase. All the gas phase optimizations... 

Hydrogen bonding is an important weak interaction encountered in gas, liquid, as well as solid phase. The hydrogen bond plays a very vital role in many life processes and is one of the most frequently used terms in chemistry and biology. Amides have several applications as drugs, antibacterials and antifungals. Different substituents can affect the acidity of amides. Investigation have shown that hydroxyl function group can increase the acidity of many organic molecules through interamolecular hydrogen bonding. The goal of this project is to investigate the acidity of cyclic amides and barbiturates by adding hydroxyl group in the gas and solution phase. All the gas phase optimizations and... 

In an era of tight budgets, productivity measurement is a managerial concern. To analyze productivity precisely, real-time productivity measurement through an appropriate IT infrastructure is needed. Enterprise Resource Planning (ERP) is an IT tool which integrates all organizational units and facilitates real-time productivity measurement. To measure productivity levels continuously through an ERP system, organizational structure must be coherent.The main aim of this research is to propose coherent structures for a healthcare organization, as an introduction to facilitate real-time productivity measurement. To accomplish this purpose, present structure of the selected healthcare... 

This thesis is divided into three parts: In part I, structure and electronic properties of ionic liquids based on N7, N9-dimethylguaninium cation and α-amino acid (Gly, His, Phe, Try, and Tyr) anions and also ionic liquids based on 1-ethyl-3-methylimidazolium [emim]+ cation and alkyl-trifluoroborate ([RBF3]-, R=n-CmH2m+1 (m=1-5)) anions were discussed at the DFT(B3LYP)/6-311++G(d,p) level of theory. Then, the effect of chain length in anion on the nature and strength of interaction between cation and anion was investigated. Our results indicated that interaction energy values decrease with the increase in side chain size in anion. NBO and QTAIM results indicated that the interaction in these... 

This thesis is divided into three parts: In part I, interactions of neutral and anionic forms of histidine with coinage metal nano clusters M3 (M = Au, Ag and Cu) are investigated. Results demonstrate that nonconventional M…H-O hydrogen bonds and M-X bonds (X = N, O) play stabilization roles in interactions of histidine and metal nano clusters. Presence of negative charge in ligand leads to increase of binding energy of complexes. In the next step, the effects of coinage metal nano clusters on the gas-phase acidity of weak organic acid (histidine) have been explored. The acidity of isolated histidine is compared with the acidity of its Au3–, Ag3– and Cu3–complexed species. Moreover, pKa... 

This thesis is divided into three parts: In part I, conformational properties of neutral, anionic, cationic and zwitterionic forms of glutathione tripeptide were investigated by means of DFT-B3LYP method with 6-31+G (d,p) basis set. Results show that glutathione is a very flexible molecule and its conformational energy landscape is strongly influenced by forming intramolecular hydrogen bond and its charge. Conformation of each amino acid in glutathione tripeptide depends on its orientation within the peptide sequence in addition to the conformation of other amino acids within the chain. Investigation of intramolecular hydrogen bonds in these conformers by means of AIM analysis demonstrates... 

One of the important questions in mathematics is generalized. In case of metric spaces, one of the questions is: Can we extend notions of Riemannian geometry to arbitrary metric spaces smoothly? Ricci curvature is one of the most important concepts in differential geometry. Ricci curvature is defined for the Riemannian manifold and has many applications in mathematics and physics like Einstein’s equation in relativity theory. There is a good notion for a metric space having “sectional curvature bounded below by K” or “sectional curvature bounded above by K”, due to Alexandrov. Can we define the concept of Ricci curvature in metric space? A motivation for this question comes from Gromov’s... 

Seismic design codes reduce loads by using response modification factor. Because of the reserved strength in structural elements and capacity of structure to dissipate energy, structures can be designed for lower seismic loads. This factor has modified over time. In this thesis, the effect of the reduction in behavior factor on the response of two kinds of reinforced concrete systems were evaluated. Moment resisting frames and dual systems with different heights and regularity in plan, heve been design according to the behavior factor which is recommended in the 3rd edition of the Iranian codes of practice for seismic resistance design of buildings (Standard No. 2800). Drift and... 

Generally, nowadays, machine learning methods are used in many different areas for their superiority over other methods of prediction. Although being a tough task, stock market prediction with machine learning approaches is being spread due to satisfying results published ever yday. Machine learning methods usually use varied kinds of data ,including structured data such as market data, technical indicators and some fundamental data as well as unstructured one entailing text and graph data in order to enhance their predictability capacity. In this thesis we aimed to find out more about the importance and the contribution of structured data in prediction and we tried to attain a framework...