Erratum

Erratum." Journal of Civil Engineering and Management, 21(5), p. 67

An early cost estimation model for hydroelectric power plant projects using neural networks and multiple regression analysis

Energy is increasingly becoming more important in today’s world, whereas energy sources are drastically decreasing. One of the most valuable energy sources is hydro energy. Because of limited energy sources and excessive energy usage, cost of energy is rising. Among the electricity generation units, hydroelectric power plants are very important, since they are renewable energy sources and they have no fuel cost. To decide whether a hydroelectric power plant investment is feasible or not, project cost and amount of electricity generation of the investment should be precisely estimated. In this paper, fifty four hydroelectric power plant projects are analysed by using multiple regression and artificial neural network tools. As a result, two cost estimation models have been developed to estimate the hydroelectric power plant project cost in early stages of the project

Effects of Time Delay on Degree of Conversion of Contemporary Orthodontic Band Adhesives

Objective:For prolonged use in the oral cavity, orthodontic band adhesives should have certain physical properties to ensure the best clinical performance. The degree of conversion (DC) of orthodontic band adhesives has been found to affect their mechanical properties. The aim of this study was to investigate the effects of time delay on the DC of orthodontic band adhesives.Materials and Methods:Fourier-transform infrared spectroscopy was used to evaluate the DC of 3 adhesives (Bisco Ortho Band Paste LC, Multi Cure Glass Ionomer Band Cement, Transbond Plus Light Cure Band Adhesive) immediately after they had been polymerized and stored in artificial saliva at 37 ± 1°C for 30 days. Thirty disc-shaped specimens (10 for each adhesive) were fabricated in Teflon molds (6.0 × 1.0 mm). The samples for each adhesive were divided further into 2 groups (n=5).Results:The DC was significantly influenced by the band adhesive type (p < 0.05), and there were significant differences among band adhesive types for the DC after 30 days.Conclusion:The value of the DC could change with time delay

Electronic structure, optical and structural properties of organic 5,5 '-Dibromo-2,2 '-bithiophene

WOS: 000438326400046The changes in the electronic, optical and structural properties of the title compound have been investigated using experimental and theoretical techniques. The semi-emprical relations have been proposed for the calculation of the refractive index (n) from its measured and calculated energy gap (E-g) data. The simulated IR and Raman spectra characteristics and HOMO-LUMO energies, harmonic frequencies, Mulliken atomic charges, radial distribution functions (RDFs) and coordination number of binary interactions were recorded with the aid of density functional theory (DFT) based on optimized structure for different solvent environments. Ultraviolet-visible (UV-vis) spectral analysis has been carried out using experimental techniques and time-dependent (TD) DFT calculations. Furthermore, the effects of the concentrations on the optoelectronic properties were experimentally investigated. The measured and calculated results are discussed to get an insight for the future optoelectronic applications. (C) 2018 Elsevier GmbH. All rights reserved.Ahi Evran University Scientific Research Projects Coordination Unit, Turkey [TBY.E2.17.008]The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This work was supported by the Ahi Evran University Scientific Research Projects Coordination Unit. Project Number: TBY.E2.17.008, Turkey

Study of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructure

WOS: 000418590200003This work reports the change in the structural, electronic, spectroscopic and optical properties of N,N'-Dipentyl-3,4,9,10-perylenedicarboximide (PTCDI-C5) small molecule via experimental and theoretical techniques. Experimental and simple models were taken into consideration to calculate the refractive index (n) of PTCDI-C5 from its energy gap (E-g) data. Electrical conductance was recorded. UV, FT-IR and FT-Raman spectra characteristics and the electronic properties of PTCDI-C5 were also recorded time-dependent (TD) DFT approach based on optimized structure with different solvent environments. The results herein obtained reveal that PTCDI-C5 material is suitable for UV and chemical sensors due to its good optoelectronic paramaters. (C) 2017 Elsevier B.V. All rights reserved.Management Unit of Scientific Research Projects of Mus Alparslan University (MUSBAP)Mus Alparslan University [0001]The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This study was supported by The Management Unit of Scientific Research Projects of Mus Alparslan University (MUSBAP) under Project 0001

Photonic, spectroscopic properties and electronic structure of PTCDI-C8 organic nanostructure

WOS: 000434749100006The changes in the structural, electronic, vibrational and photonic properties of N,N'-Dioctyl-3,4,9,10-perylenedicarboximide (PTCDI-C8) one-dimensional nanostucture have been investigated using experimental and theoretical techniques. The semi-empirical relations have been proposed for the calculation of the refractive index (n)from its measured and calculated energy gap (E-g) data. FT-IR and FT-Raman spectra characteristics and structural, spectroscopic and electronic properties such as HOMO-LUMO energies, harmonic frequencies, Mullkien atomic charges, dipole moments, radial distribution functions (RDFs) and coordination number of binary interactions were recorded with the aid of density functional theory (DFT) based on optimized structure for gas phase and different solvent environments. Moreover, ultraviolet-visible (UV-vis) spectral analysis and energy gaps has been carried out using experimental techniques and time-dependent (TD) DFT calculations. The results herein obtained reveal that PTCDI-C8 material is suitable for sensitivity applications due to its appropriate optoelectronic paramaters. (C) 2018 Elsevier B.V. All rights reserved.Ahi Evran University Scientific Research Projects Coordination UnitAhi Evran University [TBY.C1.17.001]; Management Unit of Scientific Research Projects of Mu Alparslan University (MUSBAP), Turkey [0001]The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This work was supported by the Ahi Evran University Scientific Research Projects Coordination Unit. Project Number: TBY.C1.17.001 and the Management Unit of Scientific Research Projects of Mu Alparslan University (MUSBAP) under Project 0001, Turkey

Photophysical and optical properties of 5-Bromo-2-nitropyridine organic molecule: Experiment and theory

WOS: 000447575500055The changes in the structural, electronic, vibrational and optical properties of 5-Bromo-2-nitropyridine organic molecule have been investigated. The semi-emprical realtions have been proposed for the calculation of the refractive index (n). The energy gap (E-g), harmonic frequencies, Mullkien atomic charges, density of states (DOS), radial distribution functions (RDFs) and coordination number of binary interactions were searched. Ultraviolet-visible (UV-Vis) spectral analysis has been carried out using experimental techniques and time dependent (TD) DFT calculations. The stability of the organic compound changes based on solvent environment. Eg decreases depending on increase in the concentration. The compound in chloroform is more stable than that of the other solvents. The theoretical calculations are consistent with the experimental results.Ahi Evran University Scientific Research Projects Coordination Unit, Turkey [TBY.E2.17.008]The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This work was supported by the Ahi Evran University Scientific Research Projects Coordination Unit. Project Number: TBY.E2.17.008, Turkey

Experimental and theoretical studies of the structural, electronic and optical properties of BCzVB organic material

WOS: 0004746726000811,4-Bis[2-(3-N-ethylcarbazoryl)-vinyl]benzene (BCzVB) organic molecule in different solvents have been performed to explore its electronic structure and photophysical properties using solution technique and quantum chemistry calculations. The calculated energy levels of the BCzVB in solvent environments range from -5.04 to -5.06 eV (HOMO) and from -1.87 to -1.93 eV (LUMO). Solvent environment enhanced characteristic properties of the BCzVB. The performance of functional CAM-B3LYP and B3LYP was compared with measured the ultraviolet-visible (UV-vis) and charge transport properties. The refractive index was calculated using measured energy gap data. The atomic charges, dipole moments, total energies, lowest vibrational frequencies and radial distribution functions (RDFs) were searched. The reflectance spectra of the BCzVB solutions were also measured. From the results obtained, the BCzVB material has considerable potential for sensitivity, diode and OLED applications.Ahi Evran University Scientific Research Projects Coordination UnitAhi Evran University [TBY.C1.17.001]This work was supported by the Ahi Evran University Scientific Research Projects Coordination Unit. Project Number: TBY.C1.17.001, Turkey. The numerical calculations were also partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources), Turkey

A combined experimental and DFT/TD-DFT studies on the electronic structure, structural and optical properties of quinoline derivatives

Kurban, Mustafa/0000-0002-7263-0234; Gunduz, Bayram/0000-0002-1447-7534WOS:000534328100003PubMed: 32394400In this work, the structural, electronic, and optical features of quinoline derivatives were carried out by experiment and density functional theory (DFT). Our results show that a change in the substitution position of methyl group (CH3) gives rise to a decrease in the bandgap of quinoline derivatives from 2.75 to 2.50 eV for 2-Chloro-5,7-dimethylquinoline-3-carboxaldehyde (C7DMQCA) and 2-Chloro-5,7-dimethylquinoline-3-carboxaldehyde (C8DMQCA), respectively. From dipole moment, the C7DMQCA has stronger intermolecular interaction which is comparable with the bandgap energies. The absorbance maxima are found between 313 nm (3.96 eV) and 365 nm (3.39 eV) for C7DMQCA and C8DMQCA. The refractive index and optical conductivity of the C7DMQCA are found to be higher than that of the C8DMQCA. Besides, the transmittance, angle of incidence and refraction, and (alpha h & thetasym;)(2)curves were investigated in detail. Theoretical predictions are also compatible with experimental findings. The study shows the C7DMQCA has desirable properties such as lower optical bandgap, higher refractive index, and optical conductivity than the C8DMQCA

Required theoretical and experimental physical characteristics of tris[4-(diethylamino)phenyl] amine organic material

26th International Materials Research Congress (IMRC) -- AUG 20-25, 2017 -- Cancun, MEXICOWOS: 000444200300098In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic potential surface, optical and optoelectronic behaviors of the tris[4-(diethylamino)phenyl] amine (TDAPA) for different solvents (DMF and chloroform) and techniques (experimental and theoretical). We obtained the significant, interesting, same and different results for them. We obtained the refractive indices of the TDAPA for various conditions. The TDAPA exhibits a normal dispersion behavior in visible region. TDAPA organic material is suitable for optoelectronic devices and applications such as metal-organic semiconductor diodes due to the appropriate properties.Soc Mexicana Mat, Mat Res SocAhi Evran University Scientific Project Unit (BAP)Ahi Evran University [PYO-FEN.4001.15.012]This work was supported by Ahi Evran University Scientific Project Unit (BAP) with, Project No: PYO-FEN.4001.15.012