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Full-Text Articles in Entire DC Network
Leveraging The Influence Of Power Grid Links In Renewable Energy Power Generation, Wei Wang, Haibo Wang, Bahram Alidaee, Jun Huang, Huijun Yang
Leveraging The Influence Of Power Grid Links In Renewable Energy Power Generation, Wei Wang, Haibo Wang, Bahram Alidaee, Jun Huang, Huijun Yang
Faculty and Student Publications
Smart grid construction provides the basic conditions for grid connection of renewable energy power generation. However, the grid connection of large-scale intermittent renewable energy sources increases the complexity of operational control of power systems. With the increase in intermittent renewable energy grid connections, distribution system operators must optimize and integrate these new participants to ensure the flexibility and stability of smart grids. Dividing the smart grid into logical clusters helps to overcome the problems caused by intermittent renewable energy grid connections. In this study, we propose a 2-step modeling approach that includes both link and leverage analyses to detect the …
Major And Minor Flyer, University Of Mississippi. College Of Liberal Arts
Major And Minor Flyer, University Of Mississippi. College Of Liberal Arts
Liberal Arts Publications
A pamphlet listing the 35 majors and 52 minors available through the College of Liberal Arts.
Dual Drug Loaded Lipid Nanocarrier Formulations For Topical Ocular Applications, Ahmed Adel Ali Youssef, Narendar Dudhipala, Soumyajit Majumdar
Dual Drug Loaded Lipid Nanocarrier Formulations For Topical Ocular Applications, Ahmed Adel Ali Youssef, Narendar Dudhipala, Soumyajit Majumdar
Faculty and Student Publications
Introduction: Untreated ocular infections can damage the unique fine structures of the eye with possible visual impairments and blindness. Ciprofloxacin (CIP) ophthalmic solution is prescribed as first-line therapy in ocular bacterial infections. Natamycin (NT) ophthalmic suspension is one of the progenitors in ocular antifungal therapy. Nanostructured lipid carriers (NLCs) have been widely examined for ocular penetration enhancement and distribution to deeper ocular tissues. The objective of the current study was to prepare NLCs loaded with a combination of CIP and NT (CIP-NT-NLCs) and embed them in an in-situ gelling system (CIP-NT-NLCs-IG). This novel formulation will target the co-delivery of CIP …
Study Of B ¯ 0 →D+H- (H=K/Π) Decays At Belle Study Of B ¯ 0 →D+H- (H=K/Π) ... Waheed E. Et Al., E. Waheed, P. Urquijo, I. Adachi, H. Aihara, S. Al Said, D. M. Asner, H. Atmacan, V. Aulchenko, T. Aushev, S. Bahinipati, P. Behera, K. Belous, J. Bennett, M. Bessner, V. Bhardwaj, B. Bhuyan, T. Bilka, J. Biswal, A. Bobrov
Study Of B ¯ 0 →D+H- (H=K/Π) Decays At Belle Study Of B ¯ 0 →D+H- (H=K/Π) ... Waheed E. Et Al., E. Waheed, P. Urquijo, I. Adachi, H. Aihara, S. Al Said, D. M. Asner, H. Atmacan, V. Aulchenko, T. Aushev, S. Bahinipati, P. Behera, K. Belous, J. Bennett, M. Bessner, V. Bhardwaj, B. Bhuyan, T. Bilka, J. Biswal, A. Bobrov
Faculty and Student Publications
We present a measurement of the branching fractions of the Cabibbo favored B¯0→D+π- and the Cabibbo suppressed B¯0→D+K- decays. We find B(B¯0→D+π-)=(2.48±0.01±0.09±0.04)×10-3 and B(B¯0→D+K-)=(2.03±0.05±0.07±0.03)×10-4 decays, where the first uncertainty is statistical, the second is systematic, and the third uncertainty is due to the D+→K-π+π+ branching fraction. The ratio of branching fractions of B¯0→D+K- and B¯0→D+π- is measured to be RD=[8.19±0.20(stat)±0.23(syst)]×10-2. These measurements are performed using the full Belle dataset, which corresponds to 772×106BB¯ pairs and use the Belle II software framework for data analysis.
Integrating Machine Learning Algorithms With Quantum Annealing Solvers For Online Fraud Detection, Haibo Wang, Wendy Wang, Yi Liu, Bahram Alidaee
Integrating Machine Learning Algorithms With Quantum Annealing Solvers For Online Fraud Detection, Haibo Wang, Wendy Wang, Yi Liu, Bahram Alidaee
Faculty and Student Publications
Machine learning has been increasingly applied in identification of fraudulent transactions. However, most application systems detect duplicitous activities after they have already occurred, not at or near real time. Since spurious transactions are far fewer than the normal ones, the highly imbalanced data makes fraud detection very challenging and calls for ways to address it beyond the traditional machine learning approach. This study has proposed a detection framework, and implemented it using quantum machine learning (QML) approach by applying Support Vector Machine (SVM) enhanced with quantum annealing solvers. To evaluate its detection performance, we have further implemented twelve machine learning …
Design, Analysis, And Application Of Flipped Product Chaotic System, Md Sakib Hasan, Partha Sarathi Paul, Anurag Dhungel, Maisha Sadia, Md Razuan Hossain
Design, Analysis, And Application Of Flipped Product Chaotic System, Md Sakib Hasan, Partha Sarathi Paul, Anurag Dhungel, Maisha Sadia, Md Razuan Hossain
Faculty and Student Publications
In this paper, a novel method is proposed to build an improved 1-D discrete chaotic map called flipped product chaotic system (FPCS) by multiplying the output of one map with the output of a vertically flipped second map. Two variants, each with nine combinations, are shown with trade-off between computational cost and performance. The chaotic properties are explored using the bifurcation diagram, Lyapunov exponent, Kolmogorov entropy, and correlation coefficient. The proposed schemes offer a wider chaotic range and improved chaotic performance compared to the constituent maps and several prior works of similar nature. Wide chaotic window and improved chaotic complexity …
Cascading Cmos-Based Chaotic Maps For Improved Performance And Its Application In Efficient Rng Design, Partha Sarathi Paul, Maisha Sadia, Md Razuan Hossain, Barry Muldrey, Md Sakib Hasan
Cascading Cmos-Based Chaotic Maps For Improved Performance And Its Application In Efficient Rng Design, Partha Sarathi Paul, Maisha Sadia, Md Razuan Hossain, Barry Muldrey, Md Sakib Hasan
Faculty and Student Publications
We present a general framework for improving the chaotic properties of CMOS-based chaotic maps by cascading multiple maps in series. Along with two novel chaotic map topologies, we present the 45 $nm$ designs for four CMOS-based discrete-time chaotic map topologies. With the help of the bifurcation plot and three established entropy measures, namely, Lyapunov exponent, Kolmogorov entropy, and correlation coefficient, we present an extensive chaotic performance analysis on eight unique map circuits (two under each topology) to show that under certain constraints, the cascading scheme can significantly elevate the chaotic performance. The improved chaotic entropy benefits many security applications and …
Search For The Decay Bs0 →Ηη, B. Bhuyan, K. J. Nath, J. Borah, I. Adachi, H. Aihara, S. Al Said, D. M. Asner, H. Atmacan, V. Aulchenko, T. Aushev, R. Ayad, V. Babu, I. Badhrees, A. M. Bakich, P. Behera, J. Bennett, V. Bhardwaj, T. Bilka, J. Biswal
Search For The Decay Bs0 →Ηη, B. Bhuyan, K. J. Nath, J. Borah, I. Adachi, H. Aihara, S. Al Said, D. M. Asner, H. Atmacan, V. Aulchenko, T. Aushev, R. Ayad, V. Babu, I. Badhrees, A. M. Bakich, P. Behera, J. Bennett, V. Bhardwaj, T. Bilka, J. Biswal
Faculty and Student Publications
We report results from a search for the decay Bs0→ηη using 121.4 fb-1 of data collected at the (5S) resonance with the Belle detector at the KEKB asymmetric-energy e+e- collider. We do not observe any signal and set an upper limit on the branching fraction of 14.3×10-5 at 90% confidence level. This result represents a significant improvement over the previous most stringent limit.
Graphene-Metal Metasurface For Cloaking Of Cylindrical Objects At Low-Terahertz Frequencies, Shefali Pawar, Hossein Mehrpour Bernety, Alexander B. Yakovlev
Graphene-Metal Metasurface For Cloaking Of Cylindrical Objects At Low-Terahertz Frequencies, Shefali Pawar, Hossein Mehrpour Bernety, Alexander B. Yakovlev
Faculty and Student Publications
Most of the theoretical studies involving graphene, typically assume an ultra-high mobility and/or high value of Fermi energy to achieve exciting functionalities such as polarization conversion, absorption, cloaking, among others. In practice, however, graphene with such high mobility is very difficult to realize, on account of the numerous flaws and impurities that inevitably are introduced during the graphene growth and transfer process. This severely compromises graphene's practical performance, despite the appeal of theoretical predictions. A novel design was presented in 'X. Wang et al., IEEE Trans. Antenna Propagat., vol. 67, pp. 2452-2461, 2019', wherein a graphene metasurface was devised to …
Beta Invariant And Chromatic Uniqueness Of Wheels, Sooyeon Lee, Haidong Wu
Beta Invariant And Chromatic Uniqueness Of Wheels, Sooyeon Lee, Haidong Wu
Faculty and Student Publications
A graph G is chromatically unique if its chromatic polynomial completely determines the graph. An n-spoked wheel, Wn, is shown to be chromatically unique when n ≥ 4 is even [S.-J. Xu and N.-Z. Li, The chromaticity of wheels, Discrete Math. 51 (1984) 207–212]. When n is odd, this problem is still open for n ≥ 15 since 1984, although it was shown by di erent researchers that the answer is no for n = 5, 7, yes for n = 3, 9, 11, 13, and unknown for other odd n. We use the beta invariant of matroids to prove …
Application Of Artificial Neural Network To Predict The Properties Of Permeable Concrete, Hatem H. Almasaeid, Donia G. Salman
Application Of Artificial Neural Network To Predict The Properties Of Permeable Concrete, Hatem H. Almasaeid, Donia G. Salman
Faculty and Student Publications
The structure of permeable concrete has been the primary reason for its use in construction. Permeable concrete is composed of water, cement, aggregate, and little-to no-fines resulting in the presence of a significant number of voids. This makes permeable concrete an ideal solution to water accumulation issues as it acts as a drainage system. This study employs a feedforward backpropagation artificial neural network model that combines experimental laboratory data from previous studies with appropriate network architectures and training techniques. The purpose of the analysis is to develop a reliable functional relationship, based on water-cement ratio, aggregate-cement ratio, and density parameters, …
Measurement Of B (Bs →Dsx) With Bs Semileptonic Tagging, B. Wang, K. Kinoshita, H. Aihara, D. M. Asner, T. Aushev, R. Ayad, V. Babu, I. Badhrees, A. M. Bakich, P. Behera, C. Beleño, J. Bennett, M. Bessner, V. Bhardwaj, T. Bilka, J. Biswal, A. Bobrov, G. Bonvicini, A. Bozek
Measurement Of B (Bs →Dsx) With Bs Semileptonic Tagging, B. Wang, K. Kinoshita, H. Aihara, D. M. Asner, T. Aushev, R. Ayad, V. Babu, I. Badhrees, A. M. Bakich, P. Behera, C. Beleño, J. Bennett, M. Bessner, V. Bhardwaj, T. Bilka, J. Biswal, A. Bobrov, G. Bonvicini, A. Bozek
Faculty and Student Publications
We report the first direct measurement of the inclusive branching fraction B(Bs→DsX) via Bs tagging in e+e-→ (5S) events. Tagging is accomplished through a partial reconstruction of semileptonic decays Bs→DsXℓν, where X denotes unreconstructed additional hadrons or photons and ℓ is an electron or muon. With 121.4 fb-1 of data collected at the (5S) resonance by the Belle detector at the KEKB asymmetric-energy e+e- collider, we obtain B(Bs→DsX)=(60.2±5.8±2.3)%, where the first uncertainty is statistical and the second is systematic.
Newsletter Winter 2022, Annette Kluck, Margaret Savoie
Newsletter Winter 2022, Annette Kluck, Margaret Savoie
Newsletters of the Graduate School
No abstract provided.
Applied Statistics Course Offerings: Spring 2022, University Of Mississippi. Graduate School
Applied Statistics Course Offerings: Spring 2022, University Of Mississippi. Graduate School
GMAS Course List
No abstract provided.
Serially Concatenated Continuous Phase Modulation With Sova Turbo Decoding, Zhijie Guo
Serially Concatenated Continuous Phase Modulation With Sova Turbo Decoding, Zhijie Guo
Electronic Theses and Dissertations
For a Serially Concatenated Continuous Phase Modulation (SCCPM) system that concatenates a rate of 1/2 Convolutional Code (CC) and an M-ary full response continuous phase modulation (CPM) signal, we design a turbo decoding scheme using the Soft Output Viterbi algorithm (SOVA) and study the system performance. A decomposition model is used in CPM to reduce the number of states and separate the continuous phase encoder (CPE) with the modulator. As a soft-input soft-output (SISO) decoding algorithm, SOVA is used to generate and update the soft information of decoded signal symbols during the iterative process for both the CPM signal and …
Hot Melt Extrusion (Hme) And Amorphous Solid Dispersions (Asds) Strategies For Poorly Water-Soluble Drugs, Zhiqing Hu
Hot Melt Extrusion (Hme) And Amorphous Solid Dispersions (Asds) Strategies For Poorly Water-Soluble Drugs, Zhiqing Hu
Electronic Theses and Dissertations
Amorphous solid dispersion (ASD) has been well known as a potential strategy to improve the bioavailability and dissolution performance of poorly water-soluble drugs. The primary concern of this approach is the long-term stability of the amorphous drug in the solid dispersion. Accurate prediction and detection of the solubility and miscibility of drugs in polymeric binary systems will be a milestone in the development of ASDs. In Chapter Ⅰ, a method based on Flory-Huggins (F-H) theory was proposed to predict and calculate the solubility and miscibility of the drug in the polymeric matrix and construct the phase diagram to identify the …
Resilience Capacity Of School Meal Programs In Southeastern U.S. School Districts During The Covid-19 Pandemic: Findings From Mississippi, Louisiana, And West Virginia, Kritika Gupta
Electronic Theses and Dissertations
Mississippi (MS), Louisiana (LA), and West Virginia (WV) have some of the nation’s highest rates of poverty and health disparities, reflected in high rates of food insecurity. Many of the school districts in these states have greater than 40% of students qualifying for free meals and, under community eligibility, can provide meals free to all children. School meals play an important role in addressing food insecurity in the U.S. and those were severely affected by the COVID-19 pandemic. The ability of social systems (schools) to continue operations during adverse circumstances (pandemic) to ensure the sustained outcome of interest (food security) …
On Statistical Models For Signal Detection, Adedotun Michael Lawal
On Statistical Models For Signal Detection, Adedotun Michael Lawal
Electronic Theses and Dissertations
A thesis on developing statistical models that will aid in predicting signal detection at an infrasound sensor given a noise model for the sensor. The thesis aims first to provide a means to sample from a set of atmospheric profiles effectively using a statistical model, so we can have a smaller sample space to generate transmission loss values, saving time for running propagation models. And secondly, it aims to provide a formalism for a signal detection criterion using signal-to-noise ratio. The statistical model is developed using Empirical Orthogonal Function Analysis also known as Principal Component Analysis, and Inverse Transform Sampling. …
Measuring Impact Of New Teacher Mentoring Programs Through Teacher Sense Of Efficacy Scale, Ezzard Beane
Measuring Impact Of New Teacher Mentoring Programs Through Teacher Sense Of Efficacy Scale, Ezzard Beane
Electronic Theses and Dissertations
The education gap between economically advantaged and economically disadvantaged students in the United States is accountable for most of the education gap in the United States and other technologically advanced countries. Unfortunately, the students who require the most academic support and quality instruction often receive instruction from the least qualified. The gap in effective instruction for the economically disadvantaged is related to the quality of instruction which is often facilitated by the least effective and least qualified teachers. The quality of teachers is directly related to the high teacher attrition rates of teachers serving economically disadvantaged students. Maximizing strategies to …
Design And Identification Of Organic Molecules As Agonists Of The Gabab Receptor And As Difluoro-C-Glycosylated Derivatives Of Flavonoids Using Molecular Modeling, Reem Alkhodier
Electronic Theses and Dissertations
The use of molecular modeling in pharmaceutical research is continuously growing. This growth is a result of the increasing number of experimental structures, the development of sophisticated modeling methods, and the improvement in computer performance by using GPUs and cloud computing. Nowadays, molecular modeling is routinely used in drug discovery to investigate biological processes and molecular properties. Herein, we use molecular modeling to investigate the behaviors of compounds with unique scaffolds.
Baclofen is the only marketed GABAB receptor agonist that is used for spasticity disorders, and it has shown promise as an anti-abuse agent. However, it has disadvantages that raise …
Biopolymer Unfolding As A Process Of Biased Activated Barrier Crossing, Sudeep Adhikari
Biopolymer Unfolding As A Process Of Biased Activated Barrier Crossing, Sudeep Adhikari
Electronic Theses and Dissertations
The biopolymer unfolding process can be conceptualized as the thermally activated crossing of a barrier in some energy landscape; the real-world unfolding dynamics are in correspondence with the rate of transit over the barrier. In this dissertation, we report on four projects that exploit this analogy to advance our understanding of so-called pulling experiments, in which a biopolymer chain is encouraged to unfold by direct application of forces to its two ends. Regardless of the specific experimental realization, standard pulling techniques give rise to a biased barrier crossing problem. The applied force has the effect of tilting the energy landscape. …
Linguistic Expressions Of Pidgin In Nigerian Stand-Up Comedy, Jimoh Junior Braimoh
Linguistic Expressions Of Pidgin In Nigerian Stand-Up Comedy, Jimoh Junior Braimoh
Electronic Theses and Dissertations
This dissertation is a study of the comics’ lexical choices and how they achieve their goals with words. The comics’ choice of words is far from being incidental, superficial, or supplementary. Performers’ choices of words show how their ideas are embodied in language. That is to say, the effect of how a comedian uses words and humor strategies is vital for understanding the contextual meaning of jokes and how they appeal to logic and reason. The objectives are to identify and categorize lexical choices and interpret their denotative, connotative, and affective meanings. Based on the Incongruity Theory (Attardo, 1994) Data …
Student Success: Do First-Time, Full Time (Ftft) Students At The University Of Mississippi Enrolled In Intermediate Math (Ds 099) Earn Higher Grades In College Algebra (Math 121) Than Those Students Who Enrolled Directly In College Algebra?, Martina Brewer-Mister
Electronic Theses and Dissertations
Critics of developmental studies suggest that remedial courses may negatively influence a student’s program selection, persistence, and completion because remedial classes do not count toward graduation requirements (Long & Boatman, 2013). They have also found that over half of the students referred to remediation do not complete the courses (Clayton, Crosta, & Belfield, 2014; Bailey, Jeong, & Cho, 2010). The number is even lower for minority students (Bailey, 2010).
Using pre-existing data collected from the Office of Institutional Research, Effectiveness, and Planning at the University of Mississippi, an independent sample t-test and correlation analysis were conducted to examine the outcomes …
On The Distribution Of The Number Of Prime Factors Of An Integer, Jacob Mitchell Derrick
On The Distribution Of The Number Of Prime Factors Of An Integer, Jacob Mitchell Derrick
Electronic Theses and Dissertations
The distribution of the prime numbers has intrigued number theorists for centuries. As our understanding of this distribution has evolved, so too have our methods of analyzing the related arithmetic functions. If we let ω(n) denote the number of distinct prime divisors of a natural number n, then the celebrated Erdős –Kac Theorem states that the values of ω(n) are normally distributed (satisfying a central limit theorem as n varies). This result is considered the beginning of Probabilistic Number Theory. We present a modern proof of the Erdős–Kac Theorem using a moment based argument due to Granville and Soundararajan, which …
Spectroscopic Investigations Of Newly Developed Materials For Light Harvesting, Energy Conversion, And Bioimaging, Austin L. Dorris
Spectroscopic Investigations Of Newly Developed Materials For Light Harvesting, Energy Conversion, And Bioimaging, Austin L. Dorris
Electronic Theses and Dissertations
A multitude of spectroscopic techniques were employed in the making of this dissertation to investigate materials with environmental, commercial, optoelectronic, bioimaging, and solar energy conversion applications. Graphene-like materials like biochar represent a field of study in which bioavailable materials are deployed for CO2 and heavy-metal adsorption to combat the detrimental effects of industry on the environment. Vibrational characterization of these materials via Raman spectroscopy is integral in elucidating the structure-function relationship and determining the best approach for material preparation and functionalization. Carbonaceous systems such as cellulose are also studied via Raman spectroscopy to interrogate the viability of cellulose nanocrystals as …
Applications Of Correlated Gaussian Functions To Few-Body Ions, William Earwood
Applications Of Correlated Gaussian Functions To Few-Body Ions, William Earwood
Electronic Theses and Dissertations
For few-body systems, the Schrödinger equation can be solved using the linear variational method, where the wavefunction is expanded in a set of parameterized, all-particle functions. However, it remains a challenging task to determine a quality set of nonlinear parameters that result in accurate wavefunctions when the Schrödinger equation is solved from the solution to an eigenvalue problem. In this work, a stochastic optimization algorithm has been implemented to drive the optimization of wavefunctions and first-order perturbed functions. For Z ≤ 10 lithiumlike ions, variational wavefunctions are determined for the 22S, 22P, 32P, 42P, and 52P states. For the Z …
Socialization To Research And Sponsored Programs Administration Through Transformative Learning: A Qualitative Exploration Of Faculty Perceptions At The University Of Mississippi, Melissa Hodge-Penn
Socialization To Research And Sponsored Programs Administration Through Transformative Learning: A Qualitative Exploration Of Faculty Perceptions At The University Of Mississippi, Melissa Hodge-Penn
Electronic Theses and Dissertations
This study examined faculty socialization at the University of Mississippi regarding research and sponsored program administration through the lens of transformative learning. Participants were 10 tenure track faculty who had been employed at the University of Mississippi no less than one year, no more than seven years, and who had submitted a proposal to or been awarded by an external sponsor to support their research. This study uses a phenomenological design of inquiry where the researcher describes the lived experiences of individuals regarding a phenomenon as defined by the participants through semi-structured interviews. Findings suggested that sponsored research faculty perceived …
First-Year Students' Perceptions Of Innate Intelligence, Ability, And Interest Across Four Stem Domains: A Comparative Structural Equation Model, Savannah Lea Kelly
First-Year Students' Perceptions Of Innate Intelligence, Ability, And Interest Across Four Stem Domains: A Comparative Structural Equation Model, Savannah Lea Kelly
Electronic Theses and Dissertations
Higher education institutions play a pivotal role in preparing students to acquire the skills necessary to enter the STEM workforce and serve as critical partners in the STEM educational-occupational pipeline. It is imperative that postsecondary institutions encourage equal opportunities for admittance into STEM domains. However, research has consistently demonstrated that gender and racial disparities continue to exist in STEM fields at the postsecondary level, particularly when viewed through the lens of disaggregated disciplinary data. One way to address inequitable attainment across STEM is to evaluate whether students prematurely preclude themselves from STEM participation due to a misalignment between students’ self-perceptions …
Α-Tocopherol Succinate Nano Structured Lipid Carriers For The Ocular Delivery Of The Anticancer Agents And Statistical Modeling Of Release Study Profiles By Linear Mixed Models, Sushrut Marathe
Electronic Theses and Dissertations
Retinoblastoma (RB) is a rare type of cancer that develops quickly from immature retinal cells. Enucleation, external beam radiotherapy, episcleral plaque radiotherapy, and cryotherapy have been the treatment options for the RB.
Paclitaxel (PTX) is an effective antineoplastic medication with a wide range of applications in the treatment of malignant tumors., systemic toxicity, quick elimination, and resistance limit its clinical use. Due to its limited solubility, PTX formulations have proven difficult to develop, necessitating the use of Cremophor® EL and organic solvents. Furthermore, the blood-retinal barrier prevents PTX from penetrating into the ocular tissues. The goal of this work was …
Using Ab Initio Quantum Mechanical Methods For The Characterization And Isomerization Of Novel Compounds, Kimberley N. Poland
Using Ab Initio Quantum Mechanical Methods For The Characterization And Isomerization Of Novel Compounds, Kimberley N. Poland
Electronic Theses and Dissertations
Computational quantum chemistry is the branch of chemistry derived from quantum mechanics to calculate structures and properties of molecules utilizing rigorous mathematical equations and approximations. This work focuses on utilizing wavefunction based methods to compute molecular properties such as optimized geometries, harmonic and anharmonic vibrational frequencies, dipole moments, strain energy, and isomerization channels with high degrees of accuracy, allowing for a direct comparison with previous work and experiment. Electronic structure modeling using various \textit{ab intio} methods can provide insight into the characterization and behavior of molecules otherwise unobserved, including, but not limited to, detection in the interestellar medium.