Theoretical chemistry

In recent times many research activities have been carried out to prove the metal ion detection ability of Schiff bases. [13,14] In the present study, a new Schiff base has been synthesized from 5-bromo-2- hydroxybenzaldehyde and naphthalene-1,8-diamine and it is complexated with Co(II), Ni(II), Cu(II) and Zn(II) ions. The biological application of all the compounds has been analyzed and metal ions recognition property of the Schiff base has also been studied.

16p dianmotminh02 03-05-2024 8 2   Download

The thesis is organised as follows: Chapter 1 comprises the literature review of protein structure, amyloid fibrils and of the effect of nanomaterials on protein aggregation. Chapter 2 reviews the computational methods used to perform simulations and analysis. Chapter 3 comprises my published article on benchmarking forcefields and sampling methods for disordered proteins using amylin as a case study. Chapter 4 comprises my published article on the effect of oxidation on the properties of graphene oxide flakes in solution.

56p runthenight04 02-02-2023 12 3   Download

Research purpose: Using computational chemistry methods to study the mechanism of hydrogenation CO on the transition metal catalyst systems of Ni, Cu, Co, bimetallic catalysts NiCu, CoCu and catalytic systems bearing cluster on oxide carriers: MgO, Al2O3 and activated carbon (AC); compare and clarify the role of catalyst centers in single or bimetallic catalyst systems; clarifies the role of carriers (MgO, Al2O3 and AC) in the hydrogenation of CO.

27p thebadguys 08-06-2021 26 4   Download

Purpose: Using the density functional method (DFT) to find out the mechanism of CO2 hydrogenation reaction, the main product, by-products, the optimal reaction path, compare and evaluate the catalytic ability of the Ni5 cluster, Ni5/MgO, and Ni5/AC.

25p thebadguys 08-06-2021 12 3   Download

Research aims and objectives: Determining the effect of the single additive being organic and inorganic substances such as poly alcohol, poly amines, sodium salt of various modules and the combination of additives on the properties of the zinc coating created in the solution. alkaline plating solution without cyanide, compare the chemical and physical properties of the coating obtained from the non cyanide alkaline plating bath and other plating baths.

26p extraenglish 24-05-2021 17 4   Download

Study objectives: Study on theoretical and application basis of Microsoft (MS) Access and Visual Basic for Application (VBA) in creating programs that have applications in general teaching and learning and teaching and learning chemistry in particular.

27p prisonbreak123 21-05-2021 35 4   Download

Determining the effect ofthe single additive being organic and inorganic substances such as poly alcohol, poly amines, sodium salt of various modules and the combination of additives on the properties of the zinc coating created in the solution. alkaline plating solution without cyanide, compare the chemical and physical properties of the coating obtained from the non cyanide alkaline plating bath and other plating baths.

26p capheviahe29 17-03-2021 15 5   Download

Determining the effect of the single additive being organic and inorganic substances such as poly alcohol, poly amines, sodium salt of various modules and the combination of additives on the properties of the zinc coating created in the solution. alkaline plating solution without cyanide, compare the chemical and physical properties of the coating obtained from the non cyanide alkaline plating bath and other plating baths. Since then, an additive system can be used in alkaline zinc-plated tanks without cyanide.

26p capheviahe27 23-02-2021 26 5   Download

Manufacture composite based on epoxy reinforced by glass fiber with organ – modified nanosilica using organotitanate curing agent that have good mechanical strength, thermal stability, flame restraint ability; improve the toughness of epoxy resin by incorporating reinforcing agent such as organ – modified nanosilica and glass fiber with appropriate manufacturing condition and ratio.

28p capheviahe26 25-01-2021 29 3   Download

Study the structural, morphological and physicochemical properties of synthetic materials by modern physical and chemical methods such as XRD, FTIR, SEM, TEM, XPS, EDX, BET, TG-DTA, UV -Vis; evaluation of photochemical catalyst using visible light in the decomposition of dyes RR-195, RY-145 on synthetic materials.

27p capheviahe26 25-01-2021 42 3   Download

Fabbrication of electrocatalyst materials on the IrO2 basis for oxygen evolution reaction in proton exchange membrane water electrolyser PEMWE; applying to fabbricated proton exchange membrane water electrolyser PEMWE to produce hydrogen.

26p larachdumlanat129 20-01-2021 25 5   Download

Objectives of the study: Focusing on studying how to incorporate of Fe and Cu atoms into GO and SBA-15 frameworks by atomic implantation method to create new, advanced and highly efficient nanocomposite catalysts for DDT treatment.

26p xacxuoc4321 08-07-2019 48 6   Download

The proton transfer between interconversion tautomers is of importance in synthetic chemistry, such as: keto-enol, imine-enamine, oxime-nitroso [1, 2]…. The keto-enol tautomerization, especially in the -diketone compounds is a common one. Acetyl acetone, one of the -diketone compound, was studied experimentally early and thoroughly [1, 2]. This compound usually exists an equilibrium mixture of enol and keto tautomers with equilibrium

6p uocvong02 24-09-2015 43 4   Download

Complexometric titrations many metals form complex with a ligand: Cu++ + NH3 ⇔ Cu(NH3)++ Cu(NH3)2+ + NH3 ⇔ Cu (NH3)22+ Cu (NH3)22+ + NH3 ⇔ Cu (NH3)32+ Cu (NH3)32+ + NH3 ⇔ Cu (NH3)42+ Kf1 Kf2 Kf3 Kf4 Zn (NH3) complexes vs lg NH3 α .• theoretically could titrate Zn with ammonia • stepwise Kf very similar • difficult to know stoichiometry • to ensure all one form, need excess NH3 • titration never gives good equivalence point • can’t use monodentate ligand to titrate metals Titrations with EDTA • • • • use multidentate ligands e.g.

13p doilan 26-01-2013 42 3   Download

S: Windows |~113MB Phiên bản gần đây nhất của ứng dụng máy để bàn cuối cùng cho nghiên cứu hóa học trong công nghiệp Và academia. Một phạm vi đầy đủ của những mô hình lý thuyết sẵn sàng từ nhiều giao diện người dùng trực giác nhất trong doanh nghiệp được đề cao và nhanh. The latest release of the ultimate desktop application for chemistry research in industry and academia. A full range of theoretical models are available from the most intuitive user interface in the business. Enhanced, refined, and fast. Spartan is the most sophisticated version offered. This program...

2p nkt_bibo42 03-02-2012 65 7   Download