Search results for: effective hyperpolarizability
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9053

Search results for: effective hyperpolarizability

9053 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

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9052 Surface Characterization of Zincblende and Wurtzite Semiconductors Using Nonlinear Optics

Authors: Hendradi Hardhienata, Tony Sumaryada, Sri Setyaningsih

Abstract:

Current progress in the field of nonlinear optics has enabled precise surface characterization in semiconductor materials. Nonlinear optical techniques are favorable due to their nondestructive measurement and ability to work in nonvacuum and ambient conditions. The advance of the bond hyperpolarizability models opens a wide range of nanoscale surface investigation including the possibility to detect molecular orientation at the surface of silicon and zincblende semiconductors, investigation of electric field induced second harmonic fields at the semiconductor interface, detection of surface impurities, and very recently, study surface defects such as twin boundary in wurtzite semiconductors. In this work, we show using nonlinear optical techniques, e.g. nonlinear bond models how arbitrary polarization of the incoming electric field in Rotational Anisotropy Spectroscopy experiments can provide more information regarding the origin of the nonlinear sources in zincblende and wurtzite semiconductor structure. In addition, using hyperpolarizability consideration, we describe how the nonlinear susceptibility tensor describing SHG can be well modelled using only few parameter because of the symmetry of the bonds. We also show how the third harmonic intensity feature shows considerable changes when the incoming field polarization angle is changed from s-polarized to p-polarized. We also propose a method how to investigate surface reconstruction and defects in wurtzite and zincblende structure at the nanoscale level.

Keywords: surface characterization, bond model, rotational anisotropy spectroscopy, effective hyperpolarizability

Procedia PDF Downloads 129
9051 Quantum Chemical Calculations on Molecular Structure, Spectroscopy and Non-Linear Optical Properties of Some Chalcone Derivatives

Authors: Archana Gupta, Rajesh Kumar

Abstract:

The chemistry of chalcones has generated intensive scientific studies throughout the world. Especially, interest has been focused on the synthesis and biodynamic activities of chalcones. The blue light transmittance, excellent crystallizability and the two planar rings connected through a conjugated double bond show that chalcone derivatives are superior nonlinear organic compounds. 3-(2-Chloro-6-fluoro¬phen¬yl)-1-(2-thien¬yl) prop-2-en-1-one, 3-(2, 4- Dichlorophenyl) – 1 - (4-methylphenyl) – prop -2-en-1-one, (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one are some chalcone derivatives exhibiting non linear optical (NLO) properties. NLO materials have been extensively investigated in recent years as they are the key elements for photonic technologies of optical communication, optical interconnect oscillator, amplifier, frequency converter etc. Due to their high molecular hyperpolarizabilities, organic materials display a number of significant NLO properties. Experimental measurements and theoretical calculations on molecular hyperpolarizability β have become one of the key factors in the design of second order NLO materials. Theoretical determination of hyperpolarizability is quite useful both in understanding the relationship between the molecular structure and NLO properties. It also provides a guideline to experimentalists for the design and synthesis of organic NLO materials. Quantum-chemical calculations have made an important contribution to the understanding of the electronic polarization underlying the molecular NLO processes and the establishment of structure–property relationships. In the present investigation, the detailed vibrational analysis of some chalcone derivatives is taken up to understand the correlation of the charge transfer interaction and the NLO activity of the molecules based on density functional theory calculations. The vibrational modes contributing toward the NLO activity have been identified and analyzed. Rather large hyperpolarizability derived by theoretical calculations suggests the possible future use of these compounds for non-linear optical applications. The study suggests the importance of π - conjugated systems for non-linear optical properties and the possibility of charge transfer interactions. We hope that the results of the present study of chalcone derivatives are of assistance in development of new efficient materials for technological applications.

Keywords: hyperpolarizability, molecular structure, NLO material, quantum chemical calculations

Procedia PDF Downloads 198
9050 Theoretical Study on the Nonlinear Optical Responses of Peptide Bonds Created between Alanine and Some Unnatural Amino Acids

Authors: S. N. Derrar, M. Sekkal-Rahal

Abstract:

The Nonlinear optics (NLO) technique is widely used in the field of biological imaging. In fact, grafting biological entities with a high NLO response on tissues and cells enhances the NLO responses of these latter, and ameliorates, consequently, their biological imaging quality. In this optics, we carried out a theoretical study, in the aim of analyzing the peptide bonds created between alanine amino acid and both unnatural amino acids: L-Dopa and Azatryptophan, respectively. Ramachandran plots have been performed for these systems, and their structural parameters have been analyzed. The NLO responses of these peptides have been reported by calculating the first hyperpolarizability values of all the minima found on the plots. The use of such unnatural amino acids as endogenous probing molecules has been investigated through this study. The Density Functional Theory (DFT) has been used for structural properties, while the Second-order Møller-Plesset Perturbation Theory (MP2) has been employed for the NLO calculations.

Keywords: biological imaging, hyperpolarizability, nonlinear optics, probing molecule

Procedia PDF Downloads 345
9049 Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 516
9048 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 297
9047 Electron Density Analysis and Nonlinear Optical Properties of Zwitterionic Compound

Authors: A. Chouaih, N. Benhalima, N. Boukabcha, R. Rahmani, F. Hamzaoui

Abstract:

Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound.

Keywords: organic compounds, polarizability, hyperpolarizability, dipole moment

Procedia PDF Downloads 386
9046 Vibrational Spectra and Nonlinear Optical Investigations of a Chalcone Derivative (2e)-3-[4-(Methylsulfanyl) Phenyl]-1-(3-Bromophenyl) Prop-2-En-1-One

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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9045 Investigating Mathematics Teachers' Knowledge of the Effective Teaching Strategies

Authors: Zafer F. Alshehri

Abstract:

This paper investigated mathematics teachers' knowledge of the effective teaching strategies at the Southern Region of Saudi Arabia. Specifically, it aimed to identify a list of the effective strategies of teaching mathematics; the extent of mathematics teachers' knowledge of these strategies; and the differences (if any) of mathematics teachers' knowledge of these strategies regarding scientific degree, teaching experience, and educational sage. To achieve that, the researcher used the descriptive approach for preparing a list of effective mathematics teaching strategies and developing a questionnaire of a sample of (240) mathematics teachers. As a result, there were differences in teachers' knowledge of the effective teaching strategies, which ranked as a low, and the highest knowledge was in favor of higher degrees. In addition, there were a few recommendations and suggestions for developing mathematics teachers' knowledge of effective teaching strategies, such as involving in workshops of mathematics teaching strategies, integrating technology into mathematics teaching, and using research findings in the instruction process.

Keywords: mathematics teaching knowledge, mathematics teachers, effective mathematics teaching strategies

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9044 Influence of Locally Made Effective Microorganisms on the Compressive Strength of Concrete

Authors: Muhammad Nura Isa, Magaji Muhammad Garba, Dauda Dahiru Danwata

Abstract:

A lot of research was carried out to improve the technology of concrete, some of which include the introduction of new admixture in concrete production such as effective microorganisms. Researches carried out in Japan and Malaysia indicated that the Effective Microorganisms improve the strength and durability of concrete. Therefore, the main objective of this research is to assess the effect of the locally made effective microorganisms on the compressive strength of concrete in Nigeria. The effective microorganisms were produced locally. The locally made effective microorganism was added in 3%, 5%, 10% and 15% to replace the mixing water required. The results of the tests indicated that the concrete specimens with 3% content of locally made EM-A possessed the highest compressive strength, this proved the 3% to be the optimum dosage of locally made EM-A in the concrete.

Keywords: locally made effective microorganisms, compressive strength, admixture, fruits and vegetable wastes

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9043 Relationship between Effective Classroom Management with Students’ Academic Achievement of EFL of STKIP YPUP

Authors: Eny Syatriana

Abstract:

The purpose of this study is to find out the effective instruction for classroom management, with the main identification of organizing and managing effective learning environments, to identify characteristics of effective lesson planning, identify resources and materials dealing with positive and effective classroom management. Knowing the effective instruction management is one of the characteristics of well managed teacher. The study was carried out in three randomly selected classes of STKIP YPUP in South Sulawesi. The design adopted for the study was a descriptive survey approach. Simple descriptive analysis was used. The major instrument used in this study were student questionnaire, teacher questionnaire, data were gathered with the research instrument and were analyzed, the research question were investigated and two hypothesis were duly tested using t-test statistics. Based on the findings of this research, it was concluded that effective classroom management skills or techniques have strong and positive influence on student achievement.

Keywords: effective classroom management skills, students’ achievement, students academic, effective learning environments

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9042 Designing a Dispersion Flattened Single Mode PCF for E-Band to U-Band with Less Effective Area

Authors: Shabbir Chowdhury

Abstract:

A signal is broadened when it is gone through a channel, this phenomenon is known as dispersion. And dispersion is different for different wavelength. So bandwidth become limited. Research have tried to design an optical fiber with flattened dispersion to use more bandwidth and also for wavelength division multiplexing. In this paper, a single mode photonic crystal fiber with a flattened dispersion and less effective area has been proposed where silica is used as fiber materials. The effective dispersion varies from -1.996 to 0.1783 [ps/(nm-km)] for enter E-band to U-band. This fiber will take only 3.048 [micrometer^2] (for 1.75 micrometer wavelength). Silica is being used as the fiber material.

Keywords: photonic crystal fiber, dispersion, bandwidth, chromatic dispersion, effective dispersion, dispersion compensation, effective area, effective refractive index

Procedia PDF Downloads 377
9041 Effectivity Analysis of The Decontamination Products for Radioactive 99mTc Used in Nuclear Medicine

Authors: Hayrettin Eroglu, Oguz Aksakal

Abstract:

In this study, it is analysed that which decontamination products are more effective and how decontamination process should be performed in the case of contamination of radioactive 99mTc which is the most common radioactive element used in nuclear applications dealing with the human body or the environment. Based on the study, it is observed that existing radioactive washers are less effective than expected, alcohol has no effect on the decontamination of 99mTc, and temperature and pH are the most important factors. In the light of the analysis, it is concluded that the most effective decontamination product is DM-D (Decontamination Material-D). When the effect of DM-D on surfaces is analysed, it is observed that decontamination is very fast on scrubs and formica with both DM-D and water, and although DM-D is very effective on skin, it is not effective on f ceramic tiles and plastic floor covering material. Also in this study, the effectiveness of different molecular groups in the decontaminant was investigated. As a result, the acetate group has been observed as the most effective component of the decontaminant.

Keywords: contamination, radioactive, technetium, decontamination

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9040 Iranian Students’ and Teachers’ Perceptions of Effective Foreign Language Teaching

Authors: Mehrnoush Tajnia, Simin Sadeghi-Saeb

Abstract:

Students and teachers have different perceptions of effectiveness of instruction. Comparing students’ and teachers’ beliefs and finding the mismatches between them can increase L2 students’ satisfaction. Few studies have taken into account the beliefs of both students and teachers on different aspects of pedagogy and the effect of learners’ level of education and contexts on effective foreign language teacher practices. Therefore, the present study was conducted to compare students’ and teachers’ perceptions on effective foreign language teaching. A sample of 303 learners and 54 instructors from different private language institutes and universities participated in the study. A questionnaire was developed to elicit participants’ beliefs on effective foreign language teaching and learning. The analysis of the results revealed that: a) there is significant difference between the students’ beliefs about effective teacher practices and teachers’ belief, b) Class level influences students’ perception of effective foreign language teacher, d) There is a significant difference of opinion between those learners who study foreign languages at university and those who study foreign language in private institutes with respect to effective teacher practices. The present paper concludes that finding the gap between students’ and teachers’ beliefs would help both of the groups to enhance their learning and teaching.

Keywords: effective teacher, effective teaching, students’ beliefs, teachers’ beliefs

Procedia PDF Downloads 284
9039 Analytical Downlink Effective SINR Evaluation in LTE Networks

Authors: Marwane Ben Hcine, Ridha Bouallegue

Abstract:

The aim of this work is to provide an original analytical framework for downlink effective SINR evaluation in LTE networks. The classical single carrier SINR performance evaluation is extended to multi-carrier systems operating over frequency selective channels. Extension is achieved by expressing the link outage probability in terms of the statistics of the effective SINR. For effective SINR computation, the exponential effective SINR mapping (EESM) method is used on this work. Closed-form expression for the link outage probability is achieved assuming a log skew normal approximation for single carrier case. Then we rely on the lognormal approximation to express the exponential effective SINR distribution as a function of the mean and standard deviation of the SINR of a generic subcarrier. Achieved formulas is easily computable and can be obtained for a user equipment (UE) located at any distance from its serving eNodeB. Simulations show that the proposed framework provides results with accuracy within 0.5 dB.

Keywords: LTE, OFDMA, effective SINR, log skew normal approximation

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9038 Challenges of Effective Management in Tetiary Institutions in Nigeria

Authors: Simon Oga Egboja, Agi Sunday

Abstract:

The government of Nigeria have invested so much in our tertiary education but the desire qualitative goals and objectives are yet to be achieved because management at all level are not efficient and effective in implementing the desired educational policies and programmes due to some management challenges. This paper investigates some of the major challenges to effective management of tertiary institution in Nigeria some variable that are important to effective management includes political stability, adequate funding, establishment of information system, recruitment and appointment of qualified teachers and condition of service.

Keywords: effective management includes political stability, adequate funding, establishment of information system, recruitment and appointment of qualified teachers

Procedia PDF Downloads 263
9037 Synthesis, Structural, Spectroscopic and Nonlinear Optical Properties of New Picolinate Complex of Manganese (II) Ion

Authors: Ömer Tamer, Davut Avcı, Yusuf Atalay

Abstract:

Novel picolinate complex of manganese(II) ion, [Mn(pic)2] [pic: picolinate or 2-pyridinecarboxylate], was prepared and fully characterized by single crystal X-ray structure determination. The manganese(II) complex was characterized by FT-IR, FT-Raman and UV–Vis spectroscopic techniques. The C=O, C=N and C=C stretching vibrations were found to be strong and simultaneously active in IR and spectra. In order to support these experimental techniques, density functional theory (DFT) calculations were performed at Gaussian 09W. Although the supramolecular interactions have some influences on the molecular geometry in solid state phase, the calculated data show that the predicted geometries can reproduce the structural parameters. The molecular modeling and calculations of IR, Raman and UV-vis spectra were performed by using DFT levels. Nonlinear optical (NLO) properties of synthesized complex were evaluated by the determining of dipole moment (µ), polarizability (α) and hyperpolarizability (β). Obtained results demonstrated that the manganese(II) complex is a good candidate for NLO material. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. The highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) which is also known the frontier molecular orbitals were simulated, and obtained energy gap confirmed that charge transfer occurs within manganese(II) complex. Molecular electrostatic potential (MEP) for synthesized manganese(II) complex displays the electrophilic and nucleophilic regions. From MEP, the the most negative region is located over carboxyl O atoms while positive region is located over H atoms.

Keywords: DFT, picolinate, IR, Raman, nonlinear optic

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9036 Statistical Description of Counterpoise Effective Length Based on Regressive Formulas

Authors: Petar Sarajcev, Josip Vasilj, Damir Jakus

Abstract:

This paper presents a novel statistical description of the counterpoise effective length due to lightning surges, where the (impulse) effective length had been obtained by means of regressive formulas applied to the transient simulation results. The effective length is described in terms of a statistical distribution function, from which median, mean, variance, and other parameters of interest could be readily obtained. The influence of lightning current amplitude, lightning front duration, and soil resistivity on the effective length has been accounted for, assuming statistical nature of these parameters. A method for determining the optimal counterpoise length, in terms of the statistical impulse effective length, is also presented. It is based on estimating the number of dangerous events associated with lightning strikes. Proposed statistical description and the associated method provide valuable information which could aid the design engineer in optimising physical lengths of counterpoises in different grounding arrangements and soil resistivity situations.

Keywords: counterpoise, grounding conductor, effective length, lightning, Monte Carlo method, statistical distribution

Procedia PDF Downloads 387
9035 Study of the Ambiguity of Effective Hamiltonian for the Fundamental Degenerate States V3 of the Molecule 12CD4

Authors: Ouardi Okkacha, Kaarour Abedlkrim, Meskine Mohamed

Abstract:

The effective Hamiltonians are widely used in molecular spectroscopy for the interpretation of the vibration-rotation spectra. Their construction is an ambiguous procedure due to the existence of unitary transformations that change the effective Hamiltonian but do not change its eigenvalues. As a consequence of this ambiguity, it may happen that some parameters of effective Hamiltonians cannot be recovered from experimental data in a unique way. The type of admissible transformations which keeps the operator form of the effective Hamiltonian unaltered and the number of empirically determinable parameters strongly depend on the symmetry type of a molecule (asymmetric top, spherical top, and so on) and on the degeneracy of the vibrational state. In this work, we report the study of the ambiguity of effective Hamiltonian for the fundamental degenerate states v3 of the Molecule 12CD4.

Keywords: 12CD4, high-resolution infrared spectra, tetrahedral tensorial formalism, vibrational states, rovibrational line position analysis, XTDS, SPVIEW

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9034 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties

Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

Abstract:

Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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9033 Disintegration of Deuterons by Photons Reaction Model for GEANT4 with Dibaryon Formalism

Authors: Jae Won Shin, Chang Ho Hyun

Abstract:

A disintegration of deuterons by photons (dγ → np) reaction model for GEANT4 is developed in this work. An effective field theory with dibaryon fields Introducing a dibaryon field, we can take into account the effective range contribution to the propagator up to infinite order, and it consequently makes the convergence of the theory better than the pionless effective field theory without dibaryon fields. We develop a hadronic model for GEANT4 which is specialized for the disintegration of the deuteron by photons, dγ → np. For the description of two-nucleon interactions, we employ an effective field theory so called pionless theory with dibaryon fields (dEFT). In spite of its simplicity, the theory has proven very effective and useful in the applications to various two-nucleon systems and processes at low energies. We apply the new model of GEANT4 (G4dEFT) to the calculation of total and differential cross sections in dγ → np, and obtain good agreements to experimental data for a wide range of incoming photon energies.

Keywords: dγ → np, dibaryon fields, effective field theory, GEANT4

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9032 Barriers and Strategies for Effective Communication between Parents and Children in the Family

Authors: Sadhana Ghnayiem

Abstract:

This article deals with the issue of effective communication between parents and children and its impact on the family in general and on the child in particular. The aim of this article is to provide information to parents, students, anyone interested in family communication between parents and children, and to provide them with tools to deal with barriers to communication in the family unit. The article presented a literature review of the importance of effective communication in the family, the definition of the concept of communication, and was a reference to factors and barriers in communication between parents and children leading to conflict destructive to the extent that barriers to effective communication in the family unit. At the end of the article, strategies were introduced to motivate children to behave appropriately, and to equip parents best to foster the healthy development of their children when they can create an atmosphere of effective communication. From the literature review, it's found that effective communication between parents and children prevents problematic behavior and helps children understand how to communicate effectively with others. Communication between parents and children is the cornerstone of a happy family life and is the basis for positive interactions between parents and children and increases self-esteem in children.

Keywords: children, communication, conflict, family

Procedia PDF Downloads 159
9031 Analytical Evaluation on Structural Performance and Optimum Section of CHS Damper

Authors: Daniel Y. Abebe, Jeonghyun Jang, Jaehyouk Choi

Abstract:

This study aims to evaluate the effective size, section and structural characteristics of circular hollow steel (CHS) damper. CHS damper is among steel dampers which are used widely for seismic energy dissipation because they are easy to install, maintain and are inexpensive. CHS damper dissipates seismic energy through metallic deformation due to the geometrical elasticity of circular shape and fatigue resistance around connection part. After calculating the effective size, which is found to be height to diameter ratio of √("3"), nonlinear FE analyses were carried out to evaluate the structural characteristics and effective section (diameter-to-ratio).

Keywords: circular hollow steel damper, structural characteristics, effective size, effective section, large deformation, FE analysis

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9030 Managing Education through, Effective School Community Relationships/Participation for National Security

Authors: Shehu S. Janguza

Abstract:

The need for national security cannot be over Emphasis, which should be pursued by any means. Thus the need for effective management of education through effective school community Relationship/participation. In preparing and implementing only effort to promote community involvement in manning Education, it is importance to understand the whole picture of community participation, how it works, what forms are used, what benefit it can yield and what we should expect in the process of carrying out the efforts finally emphasis will be made on how effective school community relationship/participation and lead to national security.

Keywords: community participation, managing, school community, national security

Procedia PDF Downloads 568
9029 Effective Teaching without Digital Enhancement

Authors: D. A. Carnegie

Abstract:

Whilst there is a movement towards increased digital augmentation in order to facilitate effective tertiary learning, this must come with an awareness of the limitations of such an approach. Learning is best achieved in an environment that includes their learning peers where difficulties can be shared and learning enabled. Policy that advocates for digital technology in place of a physical classroom is dangerous and is often driven by financial concerns rather than pedagogical ones. In this paper, a mostly digital-less form of teaching is presented – one that has proven to be extremely effective. Implicit is anecdotal evidence that student prefer the old overhead transparencies to PowerPoint presentations. Varying and reinforcing assessment, facilitation of effective note-taking, and just actively engaging with students is at the core of a good tertiary education experience. Digital techniques can augment and complement, but not replace these core personal teaching requirements.

Keywords: engineering education, active classroom engagement, effective note taking, reinforcing assessment

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9028 Focusing on Effective Translation Teaching in the Classroom: A Case Study

Authors: Zhi Huang

Abstract:

This study follows on from previous survey and focus group research exploring the effective teaching process in a translation classroom in Australian universities through case study method. The data analysis draws on social constructivist theory in translation teaching and focuses on teaching process aiming to discover how effective translation teachers conduct teaching in the classroom. The results suggest that effective teaching requires the teacher to have ability in four aspects: classroom management, classroom pedagogy, classroom communication, and teacher roles. Effective translation teachers are able to control the whole learning process, facilitate students in independent learning, guide students to be more critical about translation, giving both positive and negative feedback for students to reflect on their own, and being supportive, patient and encouraging to students for better classroom communication and learning outcomes. This study can be applied to other teachers in translation so that they can reflect on their own teaching in their education contexts and strive for being a more qualified translation teacher and achieving teaching effectiveness.

Keywords: case study, classroom observation, classroom teaching, effective translation teaching, teacher effectiveness

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9027 Effective Microorganisms as a Sustainable Environment Product and Their Application: A Study in Pakistan

Authors: Jaffar Hussain, Farman Ali Shah

Abstract:

As we know that Pakistan is the developing country so it adopts new technologies for progress. In last three decays, some new technologies were introduced in the world in which Effective Microorganism was one of them. Microorganisms are one of the most power full living forces on earth. Originally, EM was developed as an odor control, farm, and animal health, human health many industrial treatments. Effective Microorganism is an organic fertilizer that contains a mixture of co-existing valuable microorganism composed from the environment. There are vast application of the EM in the world in which the researchers are explained in literature .In Pakistan work on EM technologies are under process, researcher are doing work to make them most valuable. At that time the application of EM are in agriculture, water treatment, to increase Cement strength, improving saline soil etc. Effective microorganisms are environmentally friendly , not-naturally organized, not chemically synthesized, not dangerous and not pathogenic.

Keywords: developing country, technologies, effective microorganism, researchers, Pakistan, agriculture

Procedia PDF Downloads 447
9026 A Psychophysiological Evaluation of an Effective Recognition Technique Using Interactive Dynamic Virtual Environments

Authors: Mohammadhossein Moghimi, Robert Stone, Pia Rotshtein

Abstract:

Recording psychological and physiological correlates of human performance within virtual environments and interpreting their impacts on human engagement, ‘immersion’ and related emotional or ‘effective’ states is both academically and technologically challenging. By exposing participants to an effective, real-time (game-like) virtual environment, designed and evaluated in an earlier study, a psychophysiological database containing the EEG, GSR and Heart Rate of 30 male and female gamers, exposed to 10 games, was constructed. Some 174 features were subsequently identified and extracted from a number of windows, with 28 different timing lengths (e.g. 2, 3, 5, etc. seconds). After reducing the number of features to 30, using a feature selection technique, K-Nearest Neighbour (KNN) and Support Vector Machine (SVM) methods were subsequently employed for the classification process. The classifiers categorised the psychophysiological database into four effective clusters (defined based on a 3-dimensional space – valence, arousal and dominance) and eight emotion labels (relaxed, content, happy, excited, angry, afraid, sad, and bored). The KNN and SVM classifiers achieved average cross-validation accuracies of 97.01% (±1.3%) and 92.84% (±3.67%), respectively. However, no significant differences were found in the classification process based on effective clusters or emotion labels.

Keywords: virtual reality, effective computing, effective VR, emotion-based effective physiological database

Procedia PDF Downloads 202
9025 Searching for an Effective Marketing in the Food Supplement Industry in Japan

Authors: Michiko Miyamoto

Abstract:

The market for "functional foods" and "foods with functional claims" that are effective in maintaining and improving health, has expanded year by year due to the entry of major food and beverage manufacturers following the introduction of the specified health food system in 1991 in Japan. To bring health claims related products or services to the market, it is necessary to let consumers to learn about these products or services; an effective marketing through advertising are important. This research proposes a framework for an effective advertisement medium for the food supplement industry by using survey data of 2,500 people.

Keywords: functional foods, dietary supplements, marketing strategy, structural equation modeling

Procedia PDF Downloads 111
9024 The Effectiveness of Exchange of Tacit and Explicit Knowledge Using Digital and Face to Face Sharing

Authors: Delio I. Castaneda, Paul Toulson

Abstract:

The purpose of this study was to investigate the knowledge sharing effectiveness of two types of knowledge, tacit and explicit, depending on two channels: face to face or digital. Participants were 217 knowledge workers in New Zealand and researchers who attended a knowledge management conference in the United Kingdom. In the study, it was found that digital tools are effective to share explicit knowledge. In addition, digital tools that facilitated dialogue were effective to share tacit knowledge. It was also found that face to face communication was an effective way to share tacit and explicit knowledge. Results of this study contribute to clarify in what cases digital tools are effective to share tacit knowledge. Additionally, even though explicit knowledge can be easily shared using digital tools, this type of knowledge is also possible to be shared through dialogue. Result of this study may support practitioners to redesign programs and activities based on knowledge sharing to make strategies more effective.

Keywords: digital knowledge, explicit knowledge, knowledge sharing, tacit knowledge

Procedia PDF Downloads 213