Engineering Commons^™

Enhanced Neurologic Concept Recognition Using A Named Entity Recognition Model Based On Transformers, Sima Azizi, Daniel B. Hier, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

Although Deep Learning Has Been Applied to the Recognition of Diseases and Drugs in Electronic Health Records and the Biomedical Literature, Relatively Little Study Has Been Devoted to the Utility of Deep Learning for the Recognition of Signs and Symptoms. the Recognition of Signs and Symptoms is Critical to the Success of Deep Phenotyping and Precision Medicine. We Have Developed a Named Entity Recognition Model that Uses Deep Learning to Identify Text Spans Containing Neurological Signs and Symptoms and Then Maps These Text Spans to the Clinical Concepts of a Neuro-Ontology. We Compared a Model based on Convolutional Neural Networks …

Water-Soluble Saponins Accumulate In Drought-Stressed Switchgrass And May Inhibit Yeast Growth During Bioethanol Production, Sarvada Hemant Chipkar, Katherine Smith, Elizabeth M. Whelan, Derek J. Debrauske, Annie Jen, Katherine A. Overmyer, Andrea Senyk, Larkin Hooker-Moericke, Marissa Gallmeyer, Joshua J. Coon, A. Daniel Jones, Trey K. Sato, Rebecca G. Ong

Michigan Tech Publications

Background: Developing economically viable pathways to produce renewable energy has become an important research theme in recent years. Lignocellulosic biomass is a promising feedstock that can be converted into second-generation biofuels and bioproducts. Global warming has adversely affected climate change causing many environmental changes that have impacted earth surface temperature and rainfall patterns. Recent research has shown that environmental growth conditions altered the composition of drought-stressed switchgrass and directly influenced the extent of biomass conversion to fuels by completely inhibiting yeast growth during fermentation. Our goal in this project was to find a way to overcome the microbial inhibition and …

Tau Kinetics In Alzheimer's Disease, Daniel B. Hier, Sima Azizi, Matthew S. Thimgan, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

The Cytoskeletal Protein Tau is Implicated in the Pathogenesis of Alzheimer's Disease Which is Characterized by Intra-Neuronal Neurofibrillary Tangles Containing Abnormally Phosphorylated Insoluble Tau. Levels of Soluble Tau Are Elevated in the Brain, the CSF, and the Plasma of Patients with Alzheimer's Disease. to Better Understand the Causes of These Elevated Levels of Tau, We Propose a Three-Compartment Kinetic Model (Brain, CSF, and Plasma). the Model Assumes that the Synthesis of Tau Follows Zero-Order Kinetics (Uncorrelated with Compartmental Tau Levels) and that the Release, Absorption, and Clearance of Tau is Governed by First-Order Kinetics (Linearly Related to Compartmental Tau Levels). …

Synthesis And Characterization Of Nanocomposites For Environmental Remediation, Nethaji S

Technical Collection

My current work deals with the preparation and characterization of nanocomposites for effluent treatment applications. The expertise lies on the preparation of carbonaceous nanocomposites including graphitic materials. The prepared materials are characterized thoroughly by different methods like FE-SEM, TEM, FT-IR, XRD, VSM, surface area and porosity. The composite materials are used for the removal of conventional and emerging contaminants like antibiotics, pesticide residues, endocrine disruptors etc. In addition to the batch studies, fabrication of microcolumns to aid the scale-up of the process is also carried out. I have published 14 research publications with around 1000 citations and h-index of 11. …

Aircraft Engine Particulate Matter Emissions From Sustainable Aviation Fuels: Results From Ground-Based Measurements During The Nasa/Dlr Campaign Eclif2/Nd-Max, Tobias Schripp, Bruce E. Anderson, Uwe Bauder, Bastian Rauch, Joel C. Corbin, Greg J. Smallwood, Prem Lobo, Ewan C. Crosbie, Michael A. Shook, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Philip D. Whitefield, Claire E. Robinson

Chemistry Faculty Research & Creative Works

The use of alternative jet fuels by commercial aviation has increased substantially in recent years. Beside the reduction of carbon dioxide emission, the use of sustainable aviation fuels (SAF) may have a positive impact on the reduction of particulate emissions. This study summarizes the results from a ground-based measurement activity conducted in January 2018 as part of the ECLIF2/ND-MAX campaign in Ramstein, Germany. Two fossil reference kerosenes and three different blends with the renewable fuel component HEFA-SPK (Hydroprocessed Esters and Fatty Acids Synthetic Paraffinic Kerosene) were burned in an A320 with V2527-A5 engines to investigate the effect of fuel naphthalene/aromatic …

Laboratory Evaluation Of A Novel Self-Healable Polymer Gel For Co2 Leakage Remediation During Co2 Storage And Co2 Flooding, Tao Song, Zhanmiao Zhai, Junchen Liu, Yugandhara Eriyagama, Mohamed Ahdaya, Adel Alotibi, Ze Wang, Thomas P. Schuman, Baojun Bai

Chemistry Faculty Research & Creative Works

For CO₂ storage in subsurface reservoirs, one of the most crucial requirements is the ability to remediate the leakage caused by the natural fractures or newly generated fractures due to the increasing pore pressure associated with CO₂ injection. For CO₂ Enhanced Oil Recovery (EOR), high conductivity features such as fractures and void space conduits can severely restrict the CO₂ sweep efficiency. Polymer gels have been developed to plug the leakage and improve the sweep efficiency. This work evaluated a CO₂ resistant branched self-healable preformed particle gel (CO₂-BRPPG) for CO₂ plugging purpose. This …

Bbt Acoustic Alternative Top Bracing Cadd Data Set-Norev-2022jun28, Bill Hemphill

STEM Guitar Project’s BBT Acoustic Kit

This electronic document file set consists of an overview presentation (PDF-formatted) file and companion video (MP4) and CADD files (DWG & DXF) for laser cutting the ETSU-developed alternate top bracing designs and marking templates for the STEM Guitar Project’s BBT (OM-sized) standard acoustic guitar kit. The three (3) alternative BBT top bracing designs in this release are
(a) a one-piece base for the standard kit's (Martin-style) bracing,
(b) 277 Ladder-style bracing, and
(c) an X-braced fan-style bracing similar to traditional European or so-called 'classical' acoustic guitars.

The CADD data set for each of the three (3) top bracing designs includes …

Examining Metal Contents In Primary And Secondhand Aerosols Released By Electronic Cigarettes, Kashala Fabrice Kapiamba, Weixing Hao, Stephen Adom, Wenyan Liu, Yue-Wern Huang, Yang Wang

Chemistry Faculty Research & Creative Works

The usage of electronic cigarettes (ECs) has surged since their invention two decades ago. However, to date, the health effects of EC aerosol exposure are still not well understood because of insufficient data on the chemical composition of EC aerosols and the corresponding evidence of health risks upon exposure. Herein, we quantified the metals in primary and secondhand aerosols generated by three brands of ECs. By combining aerosol filter sampling and inductively coupled plasma mass spectrometry (ICP-MS), we assessed the mass of metals as a function of EC flavoring, nicotine concentration, device power, puff duration, and aging of the devices. …

Bbt Side Mold Assy, Bill Hemphill

STEM Guitar Project’s BBT Acoustic Kit

This electronic document file set covers the design and fabrication information of the ETSU Guitar Building Project’s BBT (OM-sized) Side Mold Assy for use with the STEM Guitar Project’s standard acoustic guitar kit. The extended 'as built' data set contains an overview file and companion video, the 'parent' CADD drawing, CADD data for laser etching and cutting a drill &/or layout template, CADD drawings in AutoCAD .DWG and .DXF R12 formats of the centerline tool paths for creating the mold assembly pieces on an AXYZ CNC router, and support documentation for CAM applications including router bit specifications, feeds, speed, multi-pass …

Comprehensive Review Of Polymer And Polymer Gel Treatments For Natural Gas-Related Conformance Control, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Conformance problems often exist in natural gas-related activities, resulting in excessive water production from natural gas production wells and/or excessive natural gas production from oil production wells. Several mechanical and chemical solutions were reported in the literature to mitigate the conformance problems. Among the chemical solutions, two classes of materials, namely polymer gels and water-soluble polymers, have been mostly reported. These systems have been mainly reviewed in several studies for their applications as water shutoff treatments for oil production wells. Natural gas production wells exhibit different characteristics and have different properties which could impact the performance of the chemical solutions. …

Relating Detonation Parameters To The Detonation Synthesis Of Silicon Carbide, Martin Langenderfer, Eric W. Bohannan, Jeremy Lee Watts, William Fahrenholtz, Catherine E. Johnson

Chemistry Faculty Research & Creative Works

Detonation synthesis of silicon carbide (SiC) nanoparticles from carbon liberated by negatively oxygen balanced explosives was evaluated in a 23 factorial design to determine the effects of three categorical experimental factors: (1) cyclotrimethylene-trinitramine (RDX)/2,4,6-trinitrotoluene (TNT) ratio, (2) silicon (Si) additive concentration, and (3) Si particle size. These factors were evaluated at low and high levels as they relate to the detonation performance of the explosive and the solid Si-containing phases produced. Detonation velocity and Chapman-Jouguet (C-J) detonation pressure, which were measured using rate stick plate dent tests, were evaluated. Solid detonation product mass, silicon carbide product concentration, and residual silicon …

Establishing Pteridine Metabolism In A Progressive Isogenic Breast Cancer Cell Model – Part Ii, Lindsey Rasmussen, Zachary Foulks, Jiandong Wu, Casey Burton, Honglan Shi

Chemistry Faculty Research & Creative Works

Introduction: Determining the biological significance of pteridines in cancer development and progression remains an important step in understanding the altered levels of urinary pteridines seen in certain cancers. Our companion study revealed that several folate-derived pteridines and lumazines correlated with tumorigenicity in an isogenic, progressive breast cancer cell model, providing direct evidence for the tumorigenic origin of pteridines. Objectives: This study sought to elucidate the pteridine biosynthetic pathway in a progressive breast cancer model via direct pteridine dosing to determine how pteridine metabolism changes with tumorigenicity. Methods: First, MCF10AT breast cancer cells were dosed individually with 15 pteridines to determine …

Controlling Unequal Surface Energy Results Caused By Test Liquids: The Case Of Uv/O3 Treated Pet, Bilge N. Altay, Paul D. Fleming, Md Arifur Rahman, Alexandra Pekarovicova, Bruce Myers, Cem Aydemir, Arif Karademir

Articles

Ultraviolet/ozone (UV/O3) treatment has been reported to be an effective method to modify properties such as wettability, adhesion or adsorption of plastic surfaces. The change in the surface is measured by contact angle analysis, which employs liquids and their surface tensions (ST) to estimate the surface energy (SE). We found two different practices in the scientific community: (1) the majority of researchers adopted the ST value of liquids from the literature, while (2) other researchers conducted real-time measurements in the lab under ambient conditions prior to SE estimation. To the best of our knowledge, there is no study that compares …

Metal Complexes Of Redox Active Ligands, Alexandra Chaparro, Parker Keller

Chemistry & Biochemistry Student Scholarship

Alexandra Chaparro ’22, Major: Biochemistry

Parker Keller ’24, Major: Chemistry

Mentor: Dr. Maria Carroll, Chemistry and Biochemistry

Our research focuses on synthesizing and studying the properties of metal complexes that contain redox active ligands. Ligands are molecules or ions that can bind to a metal ion, and this particular class of ligands is interesting because they can either accept or lose electrons. We synthesized zinc complexes, in order to measure the reduction potentials of the ligands, which provide information about the ease with which they accept electrons. We then synthesized iron complexes and determined their structures. These complexes are potentially …

Limits Of Detection Of Mycotoxins By Laminar Flow Strips: A Review, Xinyi Zhao, Hugh Byrne, Christine M. O’Connor, James Curtin, Furong Tian

Articles

Mycotoxins are secondary metabolic products of fungi. They are poisonous, carcinogenic, and mutagenic in nature and pose a serious health threat to both humans and animals, causing severe illnesses and even death. Rapid, simple and low-cost methods of detection of mycotoxins are of immense importance and in great demand in the food and beverage industry, as well as in agriculture and environmental monitoring, and, for this purpose, lateral flow immunochromatographic strips (ICSTs) have been widely used in food safety and environmental monitoring. The literature to date describing the development of ICSTs for the detection of different types of mycotoxins using …

Theranostic Copolymers Neutralize Reactive Oxygen Species And Lipid Peroxidation Products For The Combined Treatment Of Traumatic Brain Injury, Aaron Priester, Richard Waters, Ashleigh Abbott, Krista Hilmas, Klaus Woelk, Hunter A. Miller, Aria W. Tarudji, Connor C. Gee, Brandon Mcdonald, Forrest M. Kievit, Anthony J. Convertine

Chemistry Faculty Research & Creative Works

Traumatic brain injury (TBI) results in the generation of reactive oxygen species (ROS) and lipid peroxidation product (LPOx), including acrolein and 4-hydroxynonenal (4HNE). The presence of these biochemical derangements results in neurodegeneration during the secondary phase of the injury. The ability to rapidly neutralize multiple species could significantly improve outcomes for TBI patients. However, the difficulty in creating therapies that target multiple biochemical derangements simultaneously has greatly limited therapeutic efficacy. Therefore, our goal was to design a material that could rapidly bind and neutralize both ROS and LPOx following TBI. To do this, a series of thiol-functionalized biocompatible copolymers based …

4,6-O-Phenylethylidene Acetal Protected D-Glucosamine Carbamate-Based Gelators And Their Applications For Multi-Component Gels, Pooja Sharma, Guijun Wang

Chemistry & Biochemistry Faculty Publications

The self-assembly of carbohydrate-based low molecular weight gelators has led to useful advanced soft materials. The interactions of the gelators with various cations and anions are important in creating novel molecular architectures and expanding the scope of the small molecular gelators. In this study, a series of thirteen new C-2 carbamates of the 4,6-O-phenylethylidene acetalprotected D-glucosamine derivatives has been synthesized and characterized. These compounds are rationally designed from a common sugar template. All carbamates synthesized were found to be efficient gelators and three compounds are also hydrogelators. The resulting gels were characterized using optical microscopy, atomic force microscopy, …

Computational Study On The Microscopic Adsorption Characteristics Of Linear Alkylbenzene Sulfonates With Different Chain Lengths On Anthracite Surface, Xuanlai Chen, Guochao Yan, Guang Xu, Xianglin Yang, Jinfa Dong, Zidong Liang, Shuai Wei

Mining Engineering Faculty Research & Creative Works

In order to explore the influence of different lengths of hydrophobic carbon chains on the diffusion characteristics of surfactants on the surface of anthracite, six linear alkyl benzene sulfonates with different hydrophobic carbon chain lengths were selected (mC, m = 8, 10, 12, 14, 16, 18; m represents the numbers of carbon atoms in the hydrophobic carbon chain), and molecular dynamics (MD) simulations were adopted. Models of surfactant-anthracite, surfactant-graphite layer, and water-surfactant-anthracite were constructed. After analyzing a series of properties such as adsorption energy, diffusion coefficient, radial distribution function (RDF), and hydrophobic tail order parameters, it was found that 12C …

Characteristics And Assessing Biological Risks Of Airborne Bacteria In Waste Sorting Plant, Abbas Norouzian Baghani, Somayeh Golbaz, Gholamreza Ebrahimzadeh, Marcelo I. Guzman, Mahdieh Delikhoon, Mehdi Jamshidi Rastani, Abdullah Barkhordari, Ramin Nabizadeh

Chemistry Faculty Publications

Examining the concentration and types of airborne bacteria in waste paper and cardboard sorting plants (WPCSP) is an urgent matter to inform policy makers about the health impacts on exposed workers. Herein, we collected 20 samples at 9 points of a WPCSP every 6 winter days, and found that the most abundant airborne bacteria were positively and negatively correlated to relative humidity and temperature, respectively. The most abundant airborne bacteria (in units of CFU m⁻³) were: Staphylococcus sp. (72.4) > Micrococcus sp. (52.2) > Bacillus sp. (30.3) > Enterococcus sp. (24.0) > Serratia marcescens (20.1) > E. coli (19.1) > Pseudomonas sp. (16.0) > Nocardia …

A Survey Of Blind Modulation Classification Techniques For Ofdm Signals, Anand Kumar, Sudhan Majhi, Guan Gui, Hsiao-Chun Wu, Chau Yuen

Faculty Publications

Blind modulation classification (MC) is an integral part of designing an adaptive or intelligent transceiver for future wireless communications. Blind MC has several applications in the adaptive and automated systems of sixth generation (6G) communications to improve spectral efficiency and power efficiency, and reduce latency. It will become a integral part of intelligent software-defined radios (SDR) for future communication. In this paper, we provide various MC techniques for orthogonal frequency division multiplexing (OFDM) signals in a systematic way. We focus on the most widely used statistical and machine learning (ML) models and emphasize their advantages and limitations. The statistical-based blind …

A Survey Of Blind Modulation Classification Techniques For Ofdm Signals, Anand Kumar, Sudhan Majhi, Guan Gui, Hsiao-Chun Wu, Chau Yuen

Faculty Publications

Blind modulation classification (MC) is an integral part of designing an adaptive or intelligent transceiver for future wireless communications. Blind MC has several applications in the adaptive and automated systems of sixth generation (6G) communications to improve spectral efficiency and power efficiency, and reduce latency. It will become a integral part of intelligent software-defined radios (SDR) for future communication. In this paper, we provide various MC techniques for orthogonal frequency division multiplexing (OFDM) signals in a systematic way. We focus on the most widely used statistical and machine learning (ML) models and emphasize their advantages and limitations. The statistical-based blind …

Surface Modified Hybrid Znsno3 Nanocubes For Enhanced Piezoelectric Power Generation And Wireless Sensory Application, Sk Md Ali Zaker Shawon, Zaida D. Carballo, Valeria Suarez Vega, Chen Lin, Muhammad Sufian Rafaqut, Andrew Xu Sun, James Li, Mohammed Jasim Uddin

Chemistry Faculty Publications and Presentations

Piezoelectric Nanogenerators (PENGs), which can convert ambient mechanical stimuli into electrical energy, are held in high regard due to their cost-effectiveness, energy harvesting applications, and potential as self-powered sensors. We report an aluminum-doped zinc stannate (ZnSnO3) PENG that can achieve high electrical outputs with respect to the external force. In order to enrich the piezoelectric mechanics, a low-temperature solution method was adopted in our work to synthesize ZnSnO3 nanocubes with an average side length of only 30 – 55 nm. Furthermore, ZnSnO3 was doped with 1 wt% to 5 wt% of aluminum nanoparticles. We report that 2 wt% of aluminum …

Comprehensive Evaluation Of A High-Temperature Resistant Re-Crosslinkable Preformed Particle Gel For Water Management, Bowen Yu, Shuda Zhao, Yifu Long, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gel treatment has been widely applied to control conformance for improving oil recovery and control water production in mature oil fields. However, most of the hydrogel systems are limited when being applied in the harsh environments of high temperatures. A systematic evaluation was conducted in this study to evaluate a modified PPG product, the high temperature resistant re-crosslinkable preformed particle gel (HT-RPPG) which can re-crosslink to form a bulky material and keep thermostable in the large-opening features after placement. This material was developed to overcome the limitations of conventional PPGs in the reservoirs with large- opening features such as open …

Resolving The Three-Dimensional Rotational And Translational Dynamics Of Single Molecules Using Radially And Azimuthally Polarized Fluorescence, Oumeng Zhang, Weiyan Zhou, Jin Lu, Tingting Wu, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

We report a radially and azimuthally polarized (raPol) microscope for high detection and estimation performance in single-molecule orientation-localization microscopy (SMOLM). With 5000 photons detected from Nile red (NR) transiently bound within supported lipid bilayers (SLBs), raPol SMOLM achieves 2.9 nm localization precision, 1.5° orientation precision, and 0.17 sr precision in estimating rotational wobble. Within DPPC SLBs, SMOLM imaging reveals the existence of randomly oriented binding pockets that prevent NR from freely exploring all orientations. Treating the SLBs with cholesterol-loaded methyl-β-cyclodextrin (MβCD-chol) causes NR’s orientational diffusion to be dramatically reduced, but curiously NR’s median lateral displacements drastically increase from 20.8 to …

Biodiesel Production From Castor Oil: Mixing Optimization During Transestrification, Islam M. Al-Akraa

Chemical Engineering

No abstract provided.

Biomedical Applications Of Lanthanide Nanomaterials, For Imaging, Sensing And Therapy, Qize Zhang, Stephen O'Brien, Jan Grimm

Publications and Research

The application of nanomaterials made of rare earth elements within biomedical sciences continues to make significant progress. The rare earth elements, also called the lanthanides, play an essential role in modern life through materials and electronics. As we learn more about their utility, function, and underlying physics, we can contemplate extending their applications to biomedicine. This particularly applies to diagnosis and radiation therapy due to their relatively unique features, such as an ultra-wide Stokes shift in the luminescence, variable magnetism and potentially tunable properties, due to the library of lanthanides available and their multivalent oxidation state chemistry. The ability to …

Chimeranet: U-Net For Hair Detection In Dermoscopic Skin Lesion Images, Norsang Lama, Reda Kasmi, Jason R. Hagerty, R. Joe Stanley, Reagan Harris Young, Jessica Miinch, Januka Nepal, Anand Nambisan, William V. Stoecker

Electrical and Computer Engineering Faculty Research & Creative Works

Hair and ruler mark structures in dermoscopic images are an obstacle preventing accurate image segmentation and detection of critical network features. Recognition and removal of hairs from images can be challenging, especially for hairs that are thin, overlapping, faded, or of similar color as skin or overlaid on a textured lesion. This paper proposes a novel deep learning (DL) technique to detect hair and ruler marks in skin lesion images. Our proposed ChimeraNet is an encoder-decoder architecture that employs pretrained EfficientNet in the encoder and squeeze-and-excitation residual (SERes) structures in the decoder. We applied this approach at multiple image sizes …

An Approach For Material Model Identification Of A Composite Coating Using Micro-Indentation And Multi-Scale Simulations, Pouya Shojaei, Riccardo Scazzosi, Mohamed Trabia, Brendan O’Toole, Marco Giglio, Xing Zhang, Yiliang Liao, Andrea Manes

Mechanical Engineering Faculty Research

While deposited thin film coatings can help enhance surface characteristics such as hardness and friction, their effective incorporation in product design is restricted by the limited understand-ing of their mechanical behavior. To address this, an approach combining micro-indentation and meso/micro-scale simulations was proposed. In this approach, micro-indentation testing was conducted on both the coating and the substrate. A meso-scale uniaxial compression finite element model was developed to obtain a material model of the coating. This material model was incorporated within an axisymmetric micro-scale model of the coating to simulate the indentation. The proposed approach was applied to a Ti/SiC metal …

Mechanism For Selective Binding Of Aromatic Compounds On Oxygen-Rich Graphene Nanosheets Based On Molecule Size/Polarity Matching, Heyun Fu, Bingyu Wang, Dongqiang Zhu, Zhicheng Zhou, Shidong Bao, Xiaolei Qu, Yong Guo, Lan Ling, Shourong Zheng, Pu Duan, Jingdong Mao, Klaus Schmidt-Rohr, Shu Tao, Pedro J.J. Alvarez

Chemistry & Biochemistry Faculty Publications

Selective binding of organic compounds is the cornerstone of many important industrial and pharmaceutical applications. Here, we achieved highly selective binding of aromatic compounds in aqueous solution and gas phase by oxygen-enriched graphene oxide (GO) nanosheets via a previously unknown mechanism based on size matching and polarity matching. Oxygen-containing functional groups (predominately epoxies and hydroxyls) on the nongraphitized aliphatic carbons of the basal plane of GO formed highly polar regions that encompass graphitic regions slightly larger than the benzene ring. This facilitated size match–based interactions between small apolar compounds and the isolated aromatic region of GO, resulting in high binding …

A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH₂ scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ^○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D_5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …