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Articles 1 - 30 of 62
Full-Text Articles in Atomic, Molecular and Optical Physics
Libs-Based Detection And Preliminary Classification Of Microplastic Signatures In Soil Samples., Ekhlas Jabir Mahmood
Libs-Based Detection And Preliminary Classification Of Microplastic Signatures In Soil Samples., Ekhlas Jabir Mahmood
Al-Bahir
Contamination of terrestrial systems by microplastics (MPs) has become a critical environmental hazard, but detection of such contaminants in a complex soil system is a challenge for conventional analytical techniques. This research aims to assess the potential of Laser-Induced Breakdown Spectroscopy (LIBS) for the detection and differentiation of different types of microplastics, including HDPE, LDPE, PP, PS, and PVC, dispersed in the soil of Al Najaf, Iraq. Soil samples were collected from different functional zones, namely, Industrial, Commercial, Agricultural, Residential, and Roadside, at the surface level and 30 cm depth. Detection was done by measuring the intensity of the C/H …
Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani
Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani
Makara Journal of Science
Humidity sensors are pivotal in numerous sectors, such as environmental monitoring, industrial automation, and health-care. This study presents the fabrication and detailed evaluation of an advanced humidity sensor using ethyl cellulose (EC)-coated LaFe0.925Ti0.075O3 (LFTO) perovskite nanoparticles synthesized via the sol-gel method. The LFTO nanopar-ticles exhibited a mesoporous structure with an enhanced surface area, which significantly improved their moisture adsorption capabilities. The innovative application of EC coating addresses critical substrate adhesion issues, enhancing mechanical stability without compromising sensor sensitivity. Comprehensive performance evaluations revealed minimal hysteresis (
Investigation Of Molecular Footprints In Ultra-High Diluted Homoeopathic Solutions Of Arnica Montana And Rhus Toxicodendron Through Combined Infrared And Impedance Spectroscopy, Sharbadeb Kundu, Usha Rani Dash, Chirasree Roychaudhuri, Aindrila Roy, Sanatan Chattopadhyay, Rathin Chakravarty, Debadatta Nayak, Subhash Kaushik, Amit Roy Chowdhury, Ananya Barui, Subhadip Chakraborty
Investigation Of Molecular Footprints In Ultra-High Diluted Homoeopathic Solutions Of Arnica Montana And Rhus Toxicodendron Through Combined Infrared And Impedance Spectroscopy, Sharbadeb Kundu, Usha Rani Dash, Chirasree Roychaudhuri, Aindrila Roy, Sanatan Chattopadhyay, Rathin Chakravarty, Debadatta Nayak, Subhash Kaushik, Amit Roy Chowdhury, Ananya Barui, Subhadip Chakraborty
Indian Journal of Research in Homoeopathy
Background: The study of ultra-high diluted (UHD) solutions is a compelling and controversial domain in modern science. Despite numerous investigations and hypotheses, there is a lack of rigorous, reproducible empirical evidence supporting the existence of molecular footprints beyond the Avogadro's limit. Objective: This study conducted a detailed investigation of the molecular and electrical properties, focusing on hydrogen bonding and impedance to understand the fundamental nature of UHD solutions. Materials and methods: Combined impedance and infrared spectroscopic investigations were performed to probe the structural behaviour of relevant water networks at the molecular level of UHD alcoholic extract of Arnica montana (AM) …
Comparing The Effectiveness Of Eggshell Spectra From Laser-Induced Break-Down Spectroscopy And Near-Infrared Spectroscopy Using Principal Compo-Nent Analysis To Determine The Authenticity Of Organic Eggs, Ahmad Qusthalani, Rara Mitaphonna, Muliadi Ramli, Rajibussalim Rajibussalim, Kurnia Lahna, Nasrullah Zaini, Nasrullah Idris
Comparing The Effectiveness Of Eggshell Spectra From Laser-Induced Break-Down Spectroscopy And Near-Infrared Spectroscopy Using Principal Compo-Nent Analysis To Determine The Authenticity Of Organic Eggs, Ahmad Qusthalani, Rara Mitaphonna, Muliadi Ramli, Rajibussalim Rajibussalim, Kurnia Lahna, Nasrullah Zaini, Nasrullah Idris
Makara Journal of Science
This study aimed to explore the potential of modern spectroscopy in the authentication of organic and non-organic chicken eggs using near-infrared spectroscopy (NIRS) and laser-induced breakdown spectroscopy (LIBS) spectra. A total of 175 eggs were analyzed, which were grouped into seven categories based on the source of feed given: 100% organic, 100% non-organic, 75% organic, 75% non-organic, 50% organic, free-range chickens, and eggs obtained from the local traditional market. Each group consisted of 25 eggs. NIRS spectra were recorded in the wavelength range of 350–2500 nm, whereas LIBS spectra were recorded in the range of 200–900 nm. A total of …
(R2164) The Nature Of The Big Bang Singularity In Inhomogeneous Szekeres Cosmological Frameworks, Ahmed M. Al-Haysah, Abdul-Majeed Al-Izeri
(R2164) The Nature Of The Big Bang Singularity In Inhomogeneous Szekeres Cosmological Frameworks, Ahmed M. Al-Haysah, Abdul-Majeed Al-Izeri
Applications and Applied Mathematics: An International Journal (AAM)
Without killing vector fields, the Szekeres metric is an explicit example of an anisotropic and inhomogeneous solution to the Einstein equations. The inhomogeneous Szekeres cosmological models (ISCM) within the Big Bang singularity (BBS) are obtained. This indicates that the Szekeres solution represents a more general class of exact solutions. It is known to exhibit axial symmetry. We investigate a Big Bang theory of the cosmos, which unexpectedly predicts that the universe started at the so-called BBS a finite length of time ago. A growing number of astrophysical researchers are using inhomogeneous extensions of the Friedmann-Lemaitre-Robertson-Walker (FLRW) solution and, by extension, …
Non-Linear Atom-Laser Interactions Using Rubidium Pump-Probe Spectroscopy, Grace Neil
Non-Linear Atom-Laser Interactions Using Rubidium Pump-Probe Spectroscopy, Grace Neil
Beyond: Undergraduate Research Journal
An experiment was performed to demonstrate the pump-probe spectroscopy of Rubidium (Rb) vapor, revealing the nonlinear atom-laser interactions in the 5S1/2 ↔ 5D5/2 transition in Rb that can be used to generate quantum entanglement between two laser beams. The setup included a tunable infrared diode laser, optical mirrors, photodiode-detectors, a beam-splitter, and a temperature- regulated rubidium gas chamber, all of which are controlled by the TeachSpin laser controller and monitor. The output from the laser-diode was split into a pump (90%) and a signal probe (10%), which intersected in counter-propagating directions inside the Rubidium chamber. The analysis shows that in …
Monitoring The Degradation Of Methylammonium Lead Iodide Perovskite Thin Films By Uv Exposure, Addison Dau, Ethan Dale, James Heyman
Monitoring The Degradation Of Methylammonium Lead Iodide Perovskite Thin Films By Uv Exposure, Addison Dau, Ethan Dale, James Heyman
Macalester Journal of Physics and Astronomy
This project involved lead-halide perovskite thin films, a promising novel solar cell material. The goal was to monitor the composition of the samples during degradation from blue light exposure using vibrational spectroscopy. IR and THz spectroscopy measured the composition of the samples in-situ between periods of blue light exposure, probing the N-H and Pb-I vibrational modes. Plotting MA and MAPI concentrations versus blue light exposure showed that the MA and MAPI concentrations initially decreased in a gradual linear fashion until a threshold photon flux where both vibrational absorption bands simultaneously collapsed. This suggests that there is a discontinuous change in …
Doppler Free Laser Spectroscopy, Luis F. Ayala
Doppler Free Laser Spectroscopy, Luis F. Ayala
SACAD: Scholarly Activities
Using Doppler Free laser spectroscopy we observed ground state and excited state Hyperfine structure of Rb atoms Isotopes 85 and 87.
Are The Vibrational Modes Of Molecules Quantized, Aniol Majoral Obradors
Are The Vibrational Modes Of Molecules Quantized, Aniol Majoral Obradors
SACAD: Scholarly Activities
In electron scattering from N2 molecules we observe quantized vibrational levels of N2-. These vibrational levels are well suited for energy calibration when electron transmission of unknown molecules is performed.
Effect Of Temperature And Rhenium Content In Precipitates On Dispersion Hardening Of Tungsten, Yulia R. Sharapova, Arseny M. Kazakov, Elena A. Korznikova, Alexandr Zinovev, Dmitry Terentyev, Sergey V. Dmitriev
Effect Of Temperature And Rhenium Content In Precipitates On Dispersion Hardening Of Tungsten, Yulia R. Sharapova, Arseny M. Kazakov, Elena A. Korznikova, Alexandr Zinovev, Dmitry Terentyev, Sergey V. Dmitriev
Karbala International Journal of Modern Science
Tungsten (W) is being developed as a plasma-facing material for fusion reactors, where it is subjected to MeV neutron irradiation, low-energy helium isotope particles, and high temperatures. These conditions lead to the formation of point defects, dislocation loops, voids, and transmutation into rhenium (Re) and osmium (Os), which form precipitates that significantly impact dislocation motion and increase hardness. This study uses molecular dynamics modeling to examine the interaction between an edge dislocation and Re-rich particles of various stoichiometries, specifically coherent bcc-phase particles and noncoherent σ-phase precipitates. Results show that shear stress increases by approximately 20-40% with larger particle size (3-5 …
Experimental Characterization, Computational Investigation, And Structure-Property–Activity Relationship Studies Of Nickel Ferrite Nanostructures, Ali Ben Ahmed
Polytechnic Journal
Intending to predict the multifunctionality of Nickel ferrite in several technological and medical fields, we have prepared nickel ferrite nanostructure by coprecipitation method. X-ray Diffraction (XRD) is used to determine the crystalline structure and phase composition of materials by analyzing the pattern of X-rays scattered by the atoms within the material. Fourier Transform Infrared Spectroscopy (FTIR) provides information about a material's chemical bonds and functional groups by analyzing how it absorbs infrared light at various wavelengths. Scanning Electron Microscopy (SEM) offers high-resolution images of the material's surface morphology and texture by scanning it with a focused beam of electrons. Transmission …
China Spallation Neutron Source And Southern Advance Light Source, Hesheng Chen
China Spallation Neutron Source And Southern Advance Light Source, Hesheng Chen
Bulletin of Chinese Academy of Sciences (Chinese Version)
China Spallation Neutron Source provides a large multidisciplinary platform for advanced neutron scattering research and application for cutting-edge research in basic science and many fields of the national demands. Its comprehensive performance is in the international advanced level, and has significantly improved the scientific and technological capability and innovation abilities in related fields. The successful construction of China Spallation Neutron Source has greatly promoted the development of the national large science and technology infrastructure in the Guangdong-Hong Kong-Macao Greater Bay Area, and provides important support to the comprehensive national science center in the Greater Bay Area. The synchrotron radiation light …
Questioning Reality: The Progressive Development Of Modern Physics, Joshua Lancman
Questioning Reality: The Progressive Development Of Modern Physics, Joshua Lancman
STEM Month
Humanity has a tendency to divide time. The past is distinct from the present which is entirely separate from the future. In supposedly 20-20 vision history is neatly divided into different sections, distinct eras with sharp lines between them. What is present and in the future is always modern. What is past is something else with another name.
Yet time is not divided so neatly. We know this living through it: years and decades blend into one another in a non-uniform progression. To divide human history into separate eras is a necessary simplification, as it helps to ascribe order onto …
Human Second Metacarpal Nanocrystal Analysis, William Abramovich
Human Second Metacarpal Nanocrystal Analysis, William Abramovich
DePaul Discoveries
Female human bones dated to the 6th - 8th century CE were uncovered in Greding Germany after archaeologists discovered a medieval cemetery. Age-at-death estimates have been determined, and data from several techniques are currently being analyzed to learn more about these samples. The purpose of this project is to study the diaphyses of the second metacarpal (mc2) bones excavated using wide-angle x-ray scattering data collected at beamline 1-ID of the Advanced Photon Source at Argonne National Laboratory. The diffraction data were refined using the Rietveld method to obtain lattice (‘a’ and ‘c’) parameter values …
Accelerator Based Techniques Iba To Characterize Archeological Artefacts: Case Study Of Ancient Ceramics, Ahmad Reslan, Mohamad Roumie, Sandrine Elaigne, Bilal Nsouli, Mahmoud Korek
Accelerator Based Techniques Iba To Characterize Archeological Artefacts: Case Study Of Ancient Ceramics, Ahmad Reslan, Mohamad Roumie, Sandrine Elaigne, Bilal Nsouli, Mahmoud Korek
BAU Journal - Science and Technology
Ion beam analysis techniques IBA, in particular proton induced X-ray emission PIXE, play an effective and efficient role in the characterization of cultural heritage objects. As early as the 1970s, PIXE technique was applied as reliable analytical technique to determine the elemental composition of archeological artefacts, where many accelerator laboratories worldwide are still involved in such applications. It has the advantage to be multi-elemental (Na to Pb) with major, minor and trace element analysis down to part per million or ppm, fast (few minutes per sample), non-destructive and its possible combination with other IBA techniques that can reveal other information. …
Effects Of Post-Deposition Annealing On Room Temperature Deposited Zinc Oxide, Ishan Rayen
Effects Of Post-Deposition Annealing On Room Temperature Deposited Zinc Oxide, Ishan Rayen
Macalester Journal of Physics and Astronomy
This study focuses on thin film deposition of ZnO onto a glass slide using magnetron sputtering. The focus of the study is to understand the effects of post-deposition annealing temperatures. The goal is to optimize crystal quality, conductivity, and transparency. The results attempt to answer the effects of room temperature deposition and changes in film properties once annealed. Annealing temperatures ranged from 100°C to 400°C with an annealing time of 30 minutes. This found an ideal temperature of 250°C for post-deposition annealing, resulting in approximately 3.86 times more conductivity with little to no decrease in transparency. However crystal quality did …
Float Like A Butterfly, Sting Like A Bee!, Kobe D. Rome
Float Like A Butterfly, Sting Like A Bee!, Kobe D. Rome
SACAD: Scholarly Activities
By injecting an electron into the empty pie* molecular orbital (LUMO) of Amino Acids in gas phase, we measure the Vertical Attachment Energies (VAEs) for the formation of short-lived anion states of these species using electron transmission spectroscopy (ETS). Our ETS study, a first of its kind to measure the VAE for the simplest of proteins, Glycine-Glycine (Gly-Gly), is currently in progress. Based on our previous measurements for several Amino Acids including Glycine, we expect a common range of attachment energy (1.50 – 2.00 eV) for Gly-Gly.
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul
Makara Journal of Science
Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …
Electro-Optical Effect Of 4-N-Alkyl-Sulfanyl-4' Isothiocyanate-Biphenyl Liquid Crystal Homologous Series Under Terahertz Frequency: A Theoretical Approach, Yogesh Kumar, Narinder Kumar
Electro-Optical Effect Of 4-N-Alkyl-Sulfanyl-4' Isothiocyanate-Biphenyl Liquid Crystal Homologous Series Under Terahertz Frequency: A Theoretical Approach, Yogesh Kumar, Narinder Kumar
Makara Journal of Science
This work presented the electro-optical effect of the homologous series 4-n-alkyl-sulfanyl-4'-isothiocyanate-biphenyl (N1SC13H8-SH2n+1Cn) under an electric field with terahertz (THz) frequency. The increase in alkyl sulfanyl chain length reduces the birefringence but increases the order parameter in THz frequency. An inverse relationship exists between the birefringence and order parameter. Meanwhile, the increase in alkyl sulfanyl chain length increases the refractive index with an even–odd effect. Birefringence, refractive index, order parameter, and director angle show an even–odd effect in the THz frequency range. The calculation is performed between 1 and 1,200 THz frequency. The isothiocyanate stretching corresponding to …
Application Of A Diatomic Molecule Model Potential To A Series Of Homo- And Heterodiatomic Molecules, Dorien E. Carpenter, Javier E. Hasbun
Application Of A Diatomic Molecule Model Potential To A Series Of Homo- And Heterodiatomic Molecules, Dorien E. Carpenter, Javier E. Hasbun
Georgia Journal of Science
We apply a one-dimensional classical model of a diatomic molecule model potential with modifications to H2, HF, LiF, N2, and CO. We obtain the unknown parameters of this model by digitizing plots of the potential curves for the molecules from a published, Hartree-Fock based theoretical electron correlation calculation (Piris 2017). We then apply the method of successive approximations to the model in order to calculate the wavenumber for each molecule in the series. The wavenumber depends on a parameter which in turn depends on the initial conditions. The value of this parameter for each individual molecule …
Size Effect On The Optical Response Of Cylindrical Palladium Nanoparticles, Salem Marhaba, Mohammed Khalaf
Size Effect On The Optical Response Of Cylindrical Palladium Nanoparticles, Salem Marhaba, Mohammed Khalaf
BAU Journal - Science and Technology
In this work, a computational study is carried out to investigate the optical response of palladium nano-cylinders. The Finite Element Method (FEM) is employed using the COMSOL MULTIPHYSICS simulation program to calculate the scattering, absorption, and extinction cross-sections. The influence of the size of the cylindrical nanoparticles on their optical properties is discussed. The results are plotted for a broad spectral range of wavelengths from ultra-violet to infra-red of the incident electromagnetic wave on the cylindrical nanoparticles.
Density Functional Theory (Dft) Study Of A Binary Mixture Of Mbba And Paa Liquid Crystal For Thz Application, Mirtunjai Mishra, Narinder Kumar, Pawan Singh, B. S. Rawat, Reena Dhyani, Devendra Singh, Devesh Kumar
Density Functional Theory (Dft) Study Of A Binary Mixture Of Mbba And Paa Liquid Crystal For Thz Application, Mirtunjai Mishra, Narinder Kumar, Pawan Singh, B. S. Rawat, Reena Dhyani, Devendra Singh, Devesh Kumar
Makara Journal of Science
The present scenario expresses the electro-optical effect of abinary mixture of MBBA and PAA liquid crystal studied under the impact of the electric field in THz frequency. The binary mixture has a negative order parameter, negative birefringence, and a nematic phase stability under such an electric field. The refractive index remains constant at high THz frequency. The director angle is sensitive to THz frequency, contributing to the maximum fluctuation. The atomic contribution of a binary mixture is approximately equal to the molecular contribution. The binary mixture has a remarkably high bandgap. The C-H, O-C, C-N atom stretching, and wagging of …
Localized Surface Plasmon Resonance Of Copper Nanoparticles Using Finite Element Method, Samaya El Samad, Salem Marhaba
Localized Surface Plasmon Resonance Of Copper Nanoparticles Using Finite Element Method, Samaya El Samad, Salem Marhaba
BAU Journal - Science and Technology
The aim of this paper is to study the interaction of the electromagnetic wave with plasmonic nanoparticles. Localized Surface Plasmon resonance (LSPR) characteristics are governed by the intrinsic properties of the nanoparticle (size, shape and dielectric environment). The extinction cross-section spectra of Cu nanoparticles are calculated using finite element method (FEM). By increasing both the size of the nanoparticle and the dielectric environment, the simulations show a red-shifting and broadening on the LSPR spectrum with enhancement of the spectral amplitude. The extinction cross section spectra are calculated using polarized light for non-spherical or assembled nanoparticles. We investigated the LSPR of …
Structural And Spectroscopic Analysis For Silver Bulk And Nanoparticles, Hajir M. Fadhil, Khaleel I. Hassoon, Hyder A. Salih
Structural And Spectroscopic Analysis For Silver Bulk And Nanoparticles, Hajir M. Fadhil, Khaleel I. Hassoon, Hyder A. Salih
Karbala International Journal of Modern Science
In this research work, a pulsed Nd-YْAG laser having a wavelength of 1064 nm and energy (400-700 mJ (has been utilized as a source in an induced breakdown spectroscopy (LIBS) experiment to determine the density of electron and the tem-perature of Ag-plasma. Two forms of silver (as a bulk and as a compressed nano powder) have been used as targets in the LIBSs setup. The aim of the present work is to study the impact of target properties and laser energy on the plasma fea-tures formed by the interaction between a pulsed laser and these two forms of silver. The …
Study Of The Geometric Structure Of Low-Atomic Copper Clusters Using Computer Simulation, Nodirbek Ikromjonovich Ibrokhimov
Study Of The Geometric Structure Of Low-Atomic Copper Clusters Using Computer Simulation, Nodirbek Ikromjonovich Ibrokhimov
Scientific-technical journal
In this work, we investigated the geometric structure of small neutral copper clusters with low energy using the MD (Molecular Dynamics) method. When calculating the processes of interatomic interaction, we used a potential EAM (Embedded-atom method). A computer model of Cun (n = 2-13) clusters has been created. The geometric shapes of the Cu2, Cu3, Cu4, Cu5, Cu6, Cu7, Cu8, Cu9, Cu10, Cu11, Cu12, and Cu13 clusters have been studied and the structural parameters (Cu-Cu bond …
Laser-Excitation Spectroscopy Of Niobium Hydride And Tantalum Hydride, Siddhant Singh
Laser-Excitation Spectroscopy Of Niobium Hydride And Tantalum Hydride, Siddhant Singh
Macalester Journal of Physics and Astronomy
The experimental results presented in this paper shed light on some of the fundamental bonding characteristics of NbH and TaH. Six bands of niobium hydride and five weak bands of tantalum hydride were observed for the first time using laser excitation spectroscopy. The rotational assignments of observed bands were confirmed using dispersed fluorescence experiments for NbH and by checking the internal consistency of a global least squares fit for the weaker bands of TaH. For TaH, we were able to determine the term energies and molecular constants of each of its observed states to a high degree of accuracy …
Determination Of The Rydberg Constant From The Emission Spectra Of H And He+, Kyle D. Shaffer
Determination Of The Rydberg Constant From The Emission Spectra Of H And He+, Kyle D. Shaffer
Ramifications
Abstract
In this experiment, the Rydberg constants for the hydrogen atom and He+ were determined by analysis of the emission spectra of Hand He, respectively, in comparison to the principal quantum numbers of each transition. Using both a hydrogen and then a helium atomic lamp attached to a 0.5 m grating spectrometer and a photomultiplier detector (PMT), a change in voltage detected by the PMT can be paired with a corresponding wavelength passing through the spectrometer from each emission peak in the visible to ultraviolet range. The peaks acquired from this change in voltage were analyzed to find their …
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Makara Journal of Science
Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}benzene (1) and its fluoro-, chloro-, and cyano- derivatives, namely, 1-fluoro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (2), 1-chloro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (3), and 4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzonitrile (4). These molecules belong to the family of nematic liquid crystals with three rings: two benzene and one cyclohexane. Furthermore, two DFT approaches, namely, B3LYP and M062X, have been used to examine the results obtained. This study reveals a remarkable feature: the polarizability of these molecules follows nearly a step function …
Studying The Linear Complex Pt Symmetric Potential, Roland Lombard
Studying The Linear Complex Pt Symmetric Potential, Roland Lombard
Journal of the Arab American University مجلة الجامعة العربية الامريكية للبحوث
We investigate the spectrum of the linear complex PT symmetric potential V(x) = λ|x| + icx. Semi analytical solutions are given by using properties of the Airy functions. The numerical integration of the differential equation system is discussed. We show that the number of eigenstates with a real eigenvalue is limited, depending on the ratio c/λ and on the quantum number n, reflecting a spontaneous breaking of the PT symmetry. For the ground state ( n = 0), we conjecture the eigenvalue to be real whatever the value of c.
Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil
Quantum Interference In Monocyclic Molecules: A Novel And Straightforward Phase Wave Model, Zainelabideen Yousif Mijbil
Karbala International Journal of Modern Science
We have proposed by far the simplest model, so-called phase wave model (PWM), to predict quantum interference states in monocyclic molecules. Meanwhile, transmission coefficient calculations were also performed using Green’s function method incorporated with Hückel (Tight Binding) approximation. An impressive agreement has been obtained between the results of the phase wave model and the ones from transmission coefficient calculations for the chosen model systems, namely benzene, cycloheptatriene, cyclooctatetraene, and [10]annulene. PWM represents the phase of wave functions of the incoming electrons by a wave and associates a single wavelength of the phase with five atoms/sites. Hence, the electrical conductance would …