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Articles 12511 - 12540 of 13032
Full-Text Articles in Physical Sciences and Mathematics
Localizable Entanglement Of Isotropic Antiferromagnetic Spin-1/2 Chain, İzzet Paruğ Duru, Şahi̇n Aktaş
Localizable Entanglement Of Isotropic Antiferromagnetic Spin-1/2 Chain, İzzet Paruğ Duru, Şahi̇n Aktaş
Turkish Journal of Physics
The bounds of entanglement on antiferromagnetic (AF) isotropic Heisenberg spin-1/2 chain including dipole- dipole interaction (D) were investigated. The Quantum Monte Carlo method based on loop algorithm was employed to calculate the two-spin and single-spin expectation values mediating the lower and upper bounds. It was revealed that D and Bz (the applied magnetic field) were pivotal parameters in controlling either entanglement creation/extinction or entanglement enhancement/weakening. Rival regions indicated a revival phenomenon depending on the temperature for various strengths of D which also showed a nonmonotonic behavior under certain Bz identifying critical points. Even if thermal agitations break the stability of …
The Ground State Of Pentaquarks With Cluster Structure In The Few-Body Systemapproach, Zari Binesh, Mohammad Reza Shojaei, Behnam Azadegan
The Ground State Of Pentaquarks With Cluster Structure In The Few-Body Systemapproach, Zari Binesh, Mohammad Reza Shojaei, Behnam Azadegan
Turkish Journal of Physics
In this study, an analytical model is presented based on the Nikiforov-Uvarov method for the Θ+ exotic KN resonance as a kind of pentaquark. The radial Schrödinger equation for the central Yukawa and modified Yukawa potentials was solved for Θ+ by use of the Nikiforov-Uvarov method. The energy eigenvalues and corresponding wave functions of Θ+ were obtained in terms of potential coefficients and n,l quantum numbers. Finally, the potential coefficients were determined according to the binding energy of Θ+ exotic KN resonance. The potentials and wave functions of Θ+ exotic KN resonance for different sets of potential coefficients are also …
The Novel Synthesis And Luminescence Studies Of Cuo And Fe2 O3 Embedded(8-Hydroxyquinoline)Zinc Nanocomposites, Abraham Kutticheril Eapen, Paulose Thomas
The Novel Synthesis And Luminescence Studies Of Cuo And Fe2 O3 Embedded(8-Hydroxyquinoline)Zinc Nanocomposites, Abraham Kutticheril Eapen, Paulose Thomas
Turkish Journal of Physics
The present study investigates the synthesis of novel luminescent polymer nanocomposite through the incorporation of CuO and Fe2 O3 into a C18 H12 N2 O2 Zn host polymer matrix. The observed green electroluminescence behavior originates mainly from the shift in the HOMO-LUMO energy gap of the polymer matrix caused by the inclusion of oxidized metal/oxygen ions from the incorporated metal oxides into the pyridyl and phenyl groups of the host polymer. The existence of oxidized metal/oxygen ionic states in the polymer matrix is successfully confirmed through X-ray photoelectron spectroscopic analysis. The FTIR analysis is utilized to verify the presence of …
Ab Initio Study Of Li2 Cata2 O7 Compound: Electronic And Optical Properties Forthree Phases, Murat Ayci̇bi̇n
Ab Initio Study Of Li2 Cata2 O7 Compound: Electronic And Optical Properties Forthree Phases, Murat Ayci̇bi̇n
Turkish Journal of Physics
The Li2 CaTa2 O7 compound belongs to the Ruddlesden-Popper family of layered perovskites. First principle approximation was used to investigate the electronic band structure and optical properties of the compound for three phases. Independent of the studied compound's structural type, Li2 CaTa2 O7 has semiconductor behavior and direct transition. In addition, the forbidden energy band gap of the compound decreases with rising temperature, as expected. Furthermore, the 3d orbital of Ca contributes to the conduction band due to the crystal field effect. Moreover, the optical response of the chosen axes of the compound to incoming electromagnetic rays varies with phase …
Dispersive Parameters Of Oxidized Pva-Pvp Blend Films, Goputta Veena, Blaise Lobo
Dispersive Parameters Of Oxidized Pva-Pvp Blend Films, Goputta Veena, Blaise Lobo
Turkish Journal of Physics
Oxidized (ox) polyvinyl alcohol (PVA)-polyvinyl pyrrolidone (PVP) blend films were prepared by solution casting technique, with doping levels of the oxidizer, potassium permanganate (KMnO4) , varying from 0.01 up to 4.70 weight percent (wt.%). Optical (UV-Vis) spectral measurements in the wavelength range varying from 190 nm to 1000 nm were used to extract the band gap information and to calculate various optical parameters of the ox-PVA-PVP blend films. The electronic transitions on absorption of photons of suitable energy are of indirect allowed type. The corresponding optical band gap (Eg) has been determined. Optical dispersion parameters for ox-PVA-PVP films were determined …
Modified Atomic Number Dependence Of Total Bremsstrahlung Spectra Incompounds, Suhansar Jit Sharma, Tajinder Singh, Doordarshi Singh, Amrit Singh, Amarjit Singh Dhaliwal
Modified Atomic Number Dependence Of Total Bremsstrahlung Spectra Incompounds, Suhansar Jit Sharma, Tajinder Singh, Doordarshi Singh, Amrit Singh, Amarjit Singh Dhaliwal
Turkish Journal of Physics
The total bremsstrahlung (BS) generated in compounds of BaCl2.2H2 O, CuCl2: 2H2O, Pb(CH3 COO)2.3H2O, PbCl2, Pb(NO3)2, and CuSO4.5H2 O by 90Sr was investigated using a Si(Li) detector to determine the dependence of the BS spectra on the modified atomic number (Zmod) of compounds in the photon energy range of 1-100 keV. A continuous decrease in the Zmod dependence of the bremsstrahlung spectra in the energy range of 1-30 keV was observed, followed by a slow increase thereafter, i.e. in the range of 30-100 keV. The stronger Zmod dependence of the spectra at low photon energy was expected to be the …
An Investigation Of Structural Properties And Surface Morphologies Ofelectrochemically Fabricated Nanocrystalline Ni-Co-Cu/Ito Deposits Withdifferent Compositions, Umut Saraç, Mevlana Celaletti̇n Baykul
An Investigation Of Structural Properties And Surface Morphologies Ofelectrochemically Fabricated Nanocrystalline Ni-Co-Cu/Ito Deposits Withdifferent Compositions, Umut Saraç, Mevlana Celaletti̇n Baykul
Turkish Journal of Physics
In this study, nanocrystalline ternary Ni-Co-Cu/ITO deposits with different compositions were produced by using the electrochemical deposition technique from a sulfate-based bath solution with different Co ion concentrations. It was revealed that an increment in the Co ion concentration gives rise to an enhancement in the Co content but leads to a decrement in the Ni and Cu contents of the deposit structure. The Co-Cu and Ni-Cu exhibited normal codeposition behavior, while the Co-Ni showed anomalous codeposition behavior irrespective of the bath concentration. The change in the degree of the anomalous codeposition was also investigated according to the Co ion …
Analytical Solution Of D-Dimensional Radial Schrödinger Equation For Sexticpotential By The Extended Nikiforov-Uvarov Method And Biconfluent Heunpolynomials, Hasi̇be Hale Karayer
Analytical Solution Of D-Dimensional Radial Schrödinger Equation For Sexticpotential By The Extended Nikiforov-Uvarov Method And Biconfluent Heunpolynomials, Hasi̇be Hale Karayer
Turkish Journal of Physics
D-dimensional radial Schrödinger equation (SE) for sextic potential is solved using the extended Nikiforov-Uvarov method analytically. Energy eigenvalue and eigenfunction solutions are achieved systematically. It is also presented that the D-dimensional radial SE is transformed to biconfluent Heun equation (BHE). Therefore the eigenfunction solutions for the potential are attained in terms of biconfluent Heun polynomials when the condition of existence of polynomial solution of BHE is provided simultaneously.
Pseudoscalar Higgs Boson Pair Production At A Photon-Photon Collision In Thetwo Higgs Doublet Model, Mehmet Demi̇rci̇
Pseudoscalar Higgs Boson Pair Production At A Photon-Photon Collision In Thetwo Higgs Doublet Model, Mehmet Demi̇rci̇
Turkish Journal of Physics
In this study, the direct pair production of the pseudoscalar Higgs boson at a γγ collision is analyzed in the context of the two Higgs doublet model (THDM), taking into account the complete one-loop contributions. In order to illustrate the effect of the new physics, four benchmark point scenarios, which are consistent with theoretical and current experimental constraints, are chosen in the type-I THDM with an exact alignment limit. The effect of individual contributions from each type of one-loop diagram on the total cross-section is examined in detail. The dependence of the cross-section on the center-of-mass energy is also presented …
Topography Of Electrospun Nanofibers And Its Influence On (Pot/Ps)/Si Hybridsolar Cell Parameters, Tariq Jaffar Alwan
Topography Of Electrospun Nanofibers And Its Influence On (Pot/Ps)/Si Hybridsolar Cell Parameters, Tariq Jaffar Alwan
Turkish Journal of Physics
Alignment nanofibers of poly(o-toluidine)/polystyrene (POT/PS) were prepared by using an electrospinning method at different applied voltages (Vappl.) of 10, 15, and 20 kV. The effect of the applied voltage on the morphology and electrical properties of POT/PS nanofibers was studied. Morphology and diameters of the nanofibers were investigated via atomic force microscopy. (POT/PS)/Si hybrid solar cells were fabricated through the deposition of POT/PS nanofibers on Si wafers using the electrospinning technique. The current-voltage measurements of the device under dark conditions exhibited asymmetrical and rectifying behavior for the Al/(POT/PS)/Si/Al junction, thereby confirming the formation of diodes. Diode parameters, such as ideality …
The Behaviour Of The Diamagnetic Current Modified Mri In Different Rotationprofiles, Suzan Doğan
The Behaviour Of The Diamagnetic Current Modified Mri In Different Rotationprofiles, Suzan Doğan
Turkish Journal of Physics
Magnetohydrodynamic turbulence driven by magnetorotational instability (MRI) has been widely accepted as an efficient mechanism for transporting angular momentum radially outward in the discs. Previously, we have shown the triggering effect of the magnetization currents and the gradients produced by these currents on MRI for Keplerian discs. In this work, we examine the properties of the diamagnetic current modified MRI for the discs where the epicyclic frequencies deviate from Keplerian behaviour. We show that the diamagnetic effect modifies the instability both for an increasing and for a decreasing angular momentum with radius. The novel unstable region produced by magnetization effects …
Ab Initio Atomistic Thermodynamics Modeling Of Adsorption Of Oxygen On Goldand Gold-Silver Surfaces, Mehmet Gökhan Şensoy
Ab Initio Atomistic Thermodynamics Modeling Of Adsorption Of Oxygen On Goldand Gold-Silver Surfaces, Mehmet Gökhan Şensoy
Turkish Journal of Physics
A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional theory (DFT) calculations with an atomistic thermodynamic model is performed. The (111) and (211) facets of gold and gold-silver alloy surfaces are considered, and their stabilization is discussed upon adsorption of oxygen depending on O and Ag coverage. The details of how the DFT-based atomistic thermodynamic model can apply to the transition metal surface are also presented in this work.
Two-Dimensional Ti2c Monolayer (Mxene): Surface Functionalization, Inducedmetal, Semiconductor Transition, Berna Akgenc
Two-Dimensional Ti2c Monolayer (Mxene): Surface Functionalization, Inducedmetal, Semiconductor Transition, Berna Akgenc
Turkish Journal of Physics
Recently, two-dimensional (2D) transition metal carbides and nitrides known as MXenes, have gained a lot of attention because of their tunable electronic and magnetic properties depending on surface functionalization. In the present work, the structural, electronic, and magnetic properties of both T and H phases of bare Ti2C and fully surface terminated Ti2 CT2 (T = -F, = O, -OH) are calculated using a set of first principles calculations. The ground state structures of Ti2 CT2 are computed in two and four different configurations for both H and T phases, respectively. We demonstrate that while H phase of Ti2C exhibits …
A Hard X-Ray Self-Amplified Spontaneous Emission Free-Electron Laser Optimization Using Evolutionary Algorithms For Dedicated User Applications, Di̇dem Ketenoğlu, Gazi̇ Erkan Bostanci, Ayhan Aydin, Bora Ketenoğlu
A Hard X-Ray Self-Amplified Spontaneous Emission Free-Electron Laser Optimization Using Evolutionary Algorithms For Dedicated User Applications, Di̇dem Ketenoğlu, Gazi̇ Erkan Bostanci, Ayhan Aydin, Bora Ketenoğlu
Turkish Journal of Physics
Accelerator-based fourth-generation light sources are utilized in a wide range of interdisciplinary applications such as nanotechnology, materials science, biosciences, and medicine. A hard X-ray free-electron laser (FEL), as a state-of-the-art light source, was optimized using evolutionary algorithms for dedicated user applications such as X-ray Raman scattering (XRS), resonant inelastic X-ray scattering (RIXS), and X-ray emission spectroscopies (XES). Optimal parameter sets were obtained for an in-vacuum planar undulator driven by an 8 GeV electron beam. Performance parameters of self-amplified spontaneous emission (SASE) operation (i.e. optimized SASE performance parameters through evolutionary algorithms) were found to be consistent with operating X-ray FEL facilities …
Fabrication And Characterization Of Si-Pin Photodiodes, Emre Doğanci, Şenol Kaya, Ali̇ekber Aktağ, Eli̇f Sarigül Duman, Raşi̇t Turan, Huseyi̇n Karacali̇, Ercan Yilmaz
Fabrication And Characterization Of Si-Pin Photodiodes, Emre Doğanci, Şenol Kaya, Ali̇ekber Aktağ, Eli̇f Sarigül Duman, Raşi̇t Turan, Huseyi̇n Karacali̇, Ercan Yilmaz
Turkish Journal of Physics
In this work, characteristics of silicon-based p$^{+\, }$type, intrinsic (I), n$^{-}$ type (Si-PIN) photodiodes with active area of 3.5 $\times $ 3.5 mm$^{2}$, 5.0 $\times $ 5.0 mm$^{2}$, or 7.0 $\times $ 7.0 mm$^{2}$ and their possible usage in optoelectronics were studied. The devices were fabricated in the Radiation Detector Application and Research Center (NÜRDAM) of Bolu Abant İzzet Baysal University, Turkey. To acquire the device specifications, the current-voltage (I-V) and the capacitance-voltage (C-V) measurements were carried out in the photoconductive mode. Quantum efficiency and spectral responsivity measurements were performed in the photovoltaic mode. Both measurements were carried out in …
Tuning The Electrical And Morphological Characteristics Of Pedot:Pss Films Through Mixed Cosolvent Addition And Performance Of Their Polymer Solar Cells, Çi̇sem Kirbiyik
Tuning The Electrical And Morphological Characteristics Of Pedot:Pss Films Through Mixed Cosolvent Addition And Performance Of Their Polymer Solar Cells, Çi̇sem Kirbiyik
Turkish Journal of Physics
This work aimed to reveal the influence of premixed cosolvent addition to low conductive PEDOT:PSS solution and how the optimized thin film conductivity develops. PEDOT:PSS thin films were obtained by addition of EG and MeOH cosolvent mixture (8, 10, and 15 v/v.%) and the morphological, electrical, optical, and bandgap properties of the films obtained were characterized by different techniques. The addition of mixed cosolvent can effectively control the grain size distribution and thus the conductivity. The optical characterization results revealed that the bandgap decreased with increasing volume of mixed cosolvent. The conductivity characteristics showed that the addition of 10% v/v.% …
Chemical Synthesis Of Zinc Oxide Nanorods And Their Transformation Intonanotubes, Pijus Kanti Samanta
Chemical Synthesis Of Zinc Oxide Nanorods And Their Transformation Intonanotubes, Pijus Kanti Samanta
Turkish Journal of Physics
A simple wet chemical method was successfully deployed to synthesize zinc oxide nanorods and nanotubes of hexagonal morphology. Energy dispersive X-ray spectroscopy confirmed the formation of ZnO with almost equal atomic percentages of Zn and O atoms. The FESEM images confirmed the formation of ZnO nanorods and nanotubes of length 1.5 to 2 $\mu $m and diameter 500 nm to 1 $\mu $m. The growth of the nanorods saturated under the combined effect of ionic association of Zn$^{2+}$ and OH$^{-}$ ions, Gibbs' energy of the reaction, reaction temperature, and the enthalpy of the system. Further stirring led to dissolution resulting …
On Possible Inversion Effects In The Technology Of Capillary-Porous Materials, Bulbul Yerzhenbek
On Possible Inversion Effects In The Technology Of Capillary-Porous Materials, Bulbul Yerzhenbek
Turkish Journal of Physics
The article discusses the possible place and role of the well-known thermodynamic Joule-Thomson effect in the technology of capillary-porous materials. The presence of the Joule-Thomson effect in these materials is substantiated by the peculiarities of the mechanism and kinetics of the diffusion physicochemical processes proceeding when they are heated. A mathematical description of the integral effects in capillary-porous materials under isothermal conditions is given.
Relativistic Dynamics Of A Scalar Boson Confined By Woods-Saxon Potential In Anucleus, Nuray Candemi̇r
Relativistic Dynamics Of A Scalar Boson Confined By Woods-Saxon Potential In Anucleus, Nuray Candemi̇r
Turkish Journal of Physics
We undertook a theoretical study of a scalar boson confined by Woods-Saxon potential in a nucleus via the Duffin-Kemmer-Petiau equation. We analytically obtained the eigenvectors and energy levels through the hypergeometric functions. Single-particle energy levels of a boson in the ${}^{208} {Pb}$ nucleus were calculated numerically.
Analyzing Small Businesses' Adoption Of Big Data Security Analytics, Henry Mathias
Analyzing Small Businesses' Adoption Of Big Data Security Analytics, Henry Mathias
Walden Dissertations and Doctoral Studies
Despite the increased cost of data breaches due to advanced, persistent threats from malicious sources, the adoption of big data security analytics among U.S. small businesses has been slow. Anchored in a diffusion of innovation theory, the purpose of this correlational study was to examine ways to increase the adoption of big data security analytics among small businesses in the United States by examining the relationship between small business leaders' perceptions of big data security analytics and their adoption. The research questions were developed to determine how to increase the adoption of big data security analytics, which can be measured …
Synthesis And Conformational Studies Of Various Amides, Marcos Beltran-Sanchez
Synthesis And Conformational Studies Of Various Amides, Marcos Beltran-Sanchez
University of the Pacific Theses and Dissertations
In the past, aminocyclohexanol rings have been successfully utilized as pH-triggered molecular switches in various trans-2-aminocyclohexanol derivatives. By changing the groups on the amine nitrogen, these models provided a wide pH range in which a switch can occur. The pH-induced switch of conformation was monitored by 1H-NMR spectroscopy. The models were also incorporated into the bilayer membrane of liposome structures and tested for their ability to disrupt their membrane upon their conformational flip induced by a decrease in pH.
In this work, the amide bond has been studied as a molecular switch and various amide derivatives have been tested for …
Noise Pollution/Reduction Education For Frontline Staff In The Acute Care Setting, Lopa Patel
Noise Pollution/Reduction Education For Frontline Staff In The Acute Care Setting, Lopa Patel
Walden Dissertations and Doctoral Studies
Noise levels in hospital settings have risen beyond the recommended range of 35-40 decibels, resulting in poor patient healing outcomes and other health conditions ranging from sleep deprivation, anxiety, agitation, delirium, depression, and high heart rate and blood pressure. These negative patient health experiences are evidenced by poor scores for the Hospital Consumer Assessment of Healthcare Providers and Systems, which are indicators of patients' perceptions of care. This project explored whether an educational activity for 48 direct care staff, who include registered nurses and nursing assistants, in a cardiac unit on the impact of noise pollution on patient healing would …
Strategies To Recover From Satellite Communication Failures, Charles Lomotey
Strategies To Recover From Satellite Communication Failures, Charles Lomotey
Walden Dissertations and Doctoral Studies
In natural and manmade disasters, inadequate strategies to recover from satellite communication (SATCOM) failures can affect the ability of humanitarian organizations to provide timely assistance to the affected populations. This single case study explored strategies used by network administrators (NAs) to recover from SATCOM failures in humanitarian operations. The study population were NAs in Asia, the Middle East, Central Africa, East Africa, and West Africa. Data were collected from semistructured interviews with 9 NAs and an analysis of network statistics for their locations. The resource-based view was used as the conceptual framework for the study. Using inductive analysis, 3 themes …
Hazardous Waste Site Proximity And Type 2 Diabetes: From Youths To Adults, Theresa Ann Johnson
Hazardous Waste Site Proximity And Type 2 Diabetes: From Youths To Adults, Theresa Ann Johnson
Walden Dissertations and Doctoral Studies
Type 2 diabetes has reached epidemic proportions in adults and youths. Persistent organic pollutants and endocrine-disrupting chemicals (EDCs), such as pesticides, dioxins, and organochlorines, are omnipresent and persist in the environment with potential for human exposure via contaminated air, waterways, soil, and human food supply. EDCs have been correlated with diabetes incidence and risks. Residential proximity to hazardous waste sites (HWS) has been correlated with increased hospital admission rates for diabetes. The study used a sample population (N = 1,724), ages ≥ 12 years from the 2005-2012 Continuous NHANES and HWS data from the National Priorities List of Superfund Sites. …
Hydraulic Fracturing And Cause-Specific Mortality: A Multicity Comparative Epidemiological Study, Uzoma C. Nduka
Hydraulic Fracturing And Cause-Specific Mortality: A Multicity Comparative Epidemiological Study, Uzoma C. Nduka
Walden Dissertations and Doctoral Studies
Cause-specific mortality (CSM), among other global health estimates, has garnered prominence in the contemporary public health field. CSM has been associated with several factors, however, research comparing CSM for prefracking versus postfracking periods is sparse. Hydraulic fracturing or fracking is a technique of extracting oil and gas from deep underground. The purpose of this study was to evaluate the difference among mean CSM scores from 1975 through 2015 in the available cities and counties of residence in Colorado and to determine the impact of gender, marital status, county of residence, and city of residence on CSM scores (prefracking period 1975-1977 …
Strategies For Small Business Sustainability, Victor K. Adoukonou
Strategies For Small Business Sustainability, Victor K. Adoukonou
Walden Dissertations and Doctoral Studies
Small businesses represent more than 99% of all employers in the United States, but more than 50% of small businesses have failed before 5 years. Climate change, digitization, and social media contribute to a paradigm shift in consumers' habits, as more consumers have become environmentally and social justice conscious. Business leaders who are unable to follow the consumers' trends and changes of habit may not succeed in sustaining their businesses. The purpose of this multiple case study was to explore strategies owners of small businesses in the District of Columbia use to sustain their businesses for longer than 5 years …
Strategies For Not-For-Profit Sustainability, Latesha Slappy
Strategies For Not-For-Profit Sustainability, Latesha Slappy
Walden Dissertations and Doctoral Studies
Leaders of not-for-profit organizations could benefit from learning how to build a sustainable organization to help ensure that their organizations could continue to provide valuable services to the community for the future. The purpose of this single case study was to explore the fundraising strategies and donor development skills that leaders used to create a sustainable organization. Five purposefully selected leaders of a not-for-profit organization in Michigan, with experience in implementing effective fundraising strategies and fostering donor development skills for a sustainable business, participated in the study. Transformational leadership was the conceptual framework. The data collection process entailed face-to-face semistructured …
Explicating Perceived Sustainability-Related Climate: A Situational Motivator Of Pro-Environmental Behavior, Yan Wah Leung, Sonny Rosenthal
Explicating Perceived Sustainability-Related Climate: A Situational Motivator Of Pro-Environmental Behavior, Yan Wah Leung, Sonny Rosenthal
Research Collection College of Integrative Studies
Individuals take cues from their surroundings when deciding whether to perform pro-environmental behaviors. Previous studies have acknowledged the role of structural, policy, and communication efforts to encourage pro-environmental behavior. Such studies demonstrate the importance of evaluating the external contexts when examining behaviors. Yet, there is a lack of explication of what external context is entailed. Expanding the concept of perceived sustainability-related climate (PSRC) used in organizational communication literature, this study proposes two dimensions that shape PSRC in the workplace—structural cues and social cues. The study then generalizes PSRC such that it is applicable in contexts beyond the workplace and proposes …
Predictive Analysis Of Real-Time Strategy Games Using Graph Mining, Isam Abdulmunem Alobaidi
Predictive Analysis Of Real-Time Strategy Games Using Graph Mining, Isam Abdulmunem Alobaidi
Doctoral Dissertations
"Machine learning and computational intelligence have facilitated the development of recommendation systems for a broad range of domains. Such recommendations are based on contextual information that is explicitly provided or pervasively collected. Recommendation systems often improve decision-making or increase the efficacy of a task. Real-Time Strategy (RTS) video games are not only a popular entertainment medium, they also are an abstraction of many real-world applications where the aim is to increase your resources and decrease those of your opponent. Using predictive analytics, which examines past examples of success and failure, we can learn how to predict positive outcomes for such …
Cis/Trans Energetics In Epoxide, Thiirane, Aziridine And Phosphirane Containing Cyclopentanols: Effects Of Intramolecular Oh···O,S,N And P Contacts, Ben E. Smith, Jeremy M. Carr, Gregory S. Tschumper
Cis/Trans Energetics In Epoxide, Thiirane, Aziridine And Phosphirane Containing Cyclopentanols: Effects Of Intramolecular Oh···O,S,N And P Contacts, Ben E. Smith, Jeremy M. Carr, Gregory S. Tschumper
Chemistry Faculty Research & Creative Works
A recent computational analysis of the stabilizing intramolecular OH···O contact in 1,2-dialkyl-2,3-epoxycyclopentanol diastereomers has been extended to thiiriane, aziridine and phosphirane analogues. Density functional theory (DFT), second-order Møller-Plesset perturbation theory (MP2) and CCSD(T) coupled-cluster computations with simple methyl and ethyl substituents indicate that electronic energies of the cis isomers are lowered by roughly 3 to 4 kcal mol−1 when the OH group of these cyclopentanol systems forms an intramolecular contact with the O, S, N or P atom on the adjacent carbon. The results also suggest that S and P can participate in these stabilizing intramolecular interactions as effectively …