A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.
The purpose of this paper is to develop a hybrid conceptual model for building information modelling (BIM) adoption in facilities management (FM) through the integration of the technology task fit (TTF) and the unified theory of acceptance and use of technology (UTAUT) theories. The study also aims to identify the influence factors of BIM adoption and usage in FM and identify gaps in the existing literature and to provide a holistic picture of recent research in technology acceptance and adoption in the construction industry and FM sector.
Krawtchouk polynomials (KPs) and their moments are promising techniques for applications of information theory, coding theory, and signal processing. This is due to the special capabilities of KPs in feature extraction and classification processes. The main challenge in existing KPs recurrence algorithms is that of numerical errors, which occur during the computation of the coefficients in large polynomial sizes, particularly when the KP parameter (p) values deviate away from 0.5 to 0 and 1. To this end, this paper proposes a new recurrence relation in order to compute the coefficients of KPs in high orders. In particular, this paper discusses the development of a new algorithm and presents a new mathematical model for computing the
... Show MoreThe present work involved synthesis of serval new substituted tetrazole via Schiff bases for trimethoprim drug by two steps. The first step involved direct reaction of different ketones and aldehydes with trimethoprim producing the corresponding Schiff bases (1-10), whereas the second step, involved preparation new tetrazoles derivatives (11-20) through reaction of the ready Schiff bases (in the first step) with sodium azidein in dioxin. The prepared compounds were characterized by UV, FT-IR, and some of them by 13C-NMR, 1H-NMR spectroscopy and physical properties.
Been Antkhav three isolates of soil classified as follows: Bacillus G3 consists of spores, G12, G27 led Pal NTG treatment to kill part of the cells of the three isolates varying degrees treatment also led to mutations urged resistance to streptomycin and rifampicin and double mutations
The establishment of a high quality service in oral health care achieved by a member of dental professional is an important feature of any system of peer review in dentistry. This protocol attempts to discuss two crucial elements (I) suitability and feasibility of treatment modality and (II) quality of treatment performed to Iraqi patients. The Iraq endodontic society is designing a standardized protocol for endodontic treatment following the quality guidelines of European society of Endodontology (2006) to meet the highest standard of care generally given by competent practitioners. The Iraqi endodontic society has the expertise and professional responsibility clinically relevant to empower the dental profession through creating significan
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