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Accuracy and Efficiency in Computational Chemistry: The Correlation Consistent Composite Approach

Accuracy and Efficiency in Computational Chemistry: The Correlation Consistent Composite Approach

Date: August 2011
Creator: Wilson, Brent R.
Description: One of the central concerns of computational chemistry is that of efficiency (i.e. the development of methodologies which will yield increased accuracy of prediction without requiring additional computational resources – RAM, disk space, computing time). Though the equations of quantum mechanics are known, the solutions to these equations often require a great deal of computing power. This dissertation primarily concerns the theme of improved computational efficiency (i.e. the achievement of greater accuracy with reduced computational cost). Improvements in the efficiency of computational chemistry are explored first in terms of the correlation consistent composite approach (ccCA). The ccCA methodology was modified and this enhanced ccCA methodology was tested against the diverse G3/05 set of 454 energetic properties. As computational efficiency improves, molecules of increasing size may be studied and this dissertation explored the issues (differential correlation and size extensivity effects) associated with obtaining chemically accurate (within 1 kcal mol-1) enthalpies of formation for hydrocarbon molecules of escalating size. Two applied projects are also described; these projects concerned the theoretical prediction of a novel rare gas compound, FKrOH, and the mechanism of human glutathione synthetase’s (hGS) negative cooperativity. The final work examined the prospect for the parameterization of the modified embedded atom ...
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A Randomized Clinical trial of Cognitive-Behavioral Therapy for Insomnia in a College Student Population

A Randomized Clinical trial of Cognitive-Behavioral Therapy for Insomnia in a College Student Population

Date: August 2011
Creator: Zimmerman, Marian Rose
Description: Nearly 10% of college students experience chronic insomnia. Cognitive-behavioral therapy for insomnia (CBTi) is an empirically validated multi-component treatment that has been demonstrated to produce reliable and durable benefits in the general adult population. However, there have been no studies examining the effectiveness of multi-component CBTi in a college student population, even though many studies have examined the efficacy of single treatment modalities. These young adults are different from the general adult population because they are in a unique transitional developmental phase as they are maturing from adolescence into adulthood, they are sleepier than adults, they tend to have irregular sleep schedules, and their living situations are often different from the general adult population. In this study college students with chronic insomnia were randomly assigned to either six sessions of CBTi or a wait list control (WLC) group. All participants completed sleep diaries, sleep measures, and psychosocial measures. The results indicated students who received CBTi showed improvements in sleep efficiency (SE), sleep onset latency (SOL), number of awakenings (NWAK), time awake after sleep onset (WASO), and sleep quality (SQ). They also had decreased insomnia severity (ISI), dysfunctional beliefs about sleep (DBAS), and general fatigue (MFI), as well as increases in ...
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Observed Eye Contact between Selected Students and Teacher in the Music Making Process

Observed Eye Contact between Selected Students and Teacher in the Music Making Process

Date: August 2006
Creator: DeLong, D. Phillip
Description: High school band members (N=13) and their teacher were observed during six rehearsals of two contrasting band compositions over a six-week period. The contrasting compositions were selected by means of a detailed process between me (the researcher) and the teacher (the conductor). One 60-second excerpt of each composition was selected, during the performance of which, the students were observed. Three video tapings of each composition was done in order to capture occasions when the students would look up from their music. Using a technique adapted from Ekman (1997), the band members and teacher were then interviewed in order to reveal the reasons they recalled for looking up from their music. The results showed that the band members looked up in places where the teacher expected eye contact, that the frequency of eye contact changed little from one rehearsal to the next, and that the frequency of eye contact changed little between the two contrasting compositions. In all cases, the band members were able to recall the reasons for looking up from their music, a fact which led to a detailed analysis about the students' own thoughts while they were engaged in playing as an ensemble. The results are discussed in ...
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Toward a Post-Structural Monumentality

Toward a Post-Structural Monumentality

Date: August 2006
Creator: Saindon, Brent Allen
Description: This study addresses a tension in contemporary studies of public memory between ideology criticism and postmodern critique. Both strategies of reading public memory rely on a representational logic derived from the assumption that the source for comparison of a memory text occurs in a more fundamental text or event. Drawing heavily from Michel Foucault, the study proposes an alternative to a representational reading strategy based on the concepts of regularity, similitude, articulation, and cultural formation. The reading of Vietnam Veterans Memorial and the Galveston County Vietnam Memorial serves as an example of a non-representational regularity enabled by the cultural formation of pastoral power.
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Foot and/or Bicycle Patrols in Major Texas Metropolitan Police Departments

Foot and/or Bicycle Patrols in Major Texas Metropolitan Police Departments

Access: Use of this item is restricted to the UNT Community.
Date: August 2006
Creator: Pavlik, Wayne Louis
Description: During the last 25 years in law enforcement in the United States, there has been a universal practice of foot and/or bicycle patrols used to accomplish the goal of police patrol enforcement and the philosophy of community policing in metropolitan areas. These tactics of patrol have also been used in police departments in and around the State of Texas. This report is a research project on six major metropolitan police departments in the State of Texas, analyzing their allocation of foot and/or bicycle patrol units within their urban cities. The study assesses their early history in using these two police tactics to address criminal activity and their progression from foot patrol to bicycle patrol. The findings of this research support the proposition that major Texas police departments have adopted the practices and philosophies of other major urban police departments around the US, by using foot and/or bicycle patrols in their cities. There is evidence that major Texas police departments were using foot patrol during the early 1980s in support of community policing and gradually phased out this practice in the early 1990s to adopt the new enforcement tactic of policing on a bicycle.
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Characterizations of Continua of Finite Degree

Characterizations of Continua of Finite Degree

Date: August 2006
Creator: Irwin, Shana
Description: In this thesis, some characterizations of continua of finite degree are given. It turns out that being of finite degree (by formal definition) can be described by saying there exists an equivalent metric in which Hausdorff linear measure of the continuum is finite. I discuss this result in detail.
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The twain have met: Self-disclosure in the formation and development of intercultural friendships in the case of Taiwanese versus native English speakers.

The twain have met: Self-disclosure in the formation and development of intercultural friendships in the case of Taiwanese versus native English speakers.

Date: August 2006
Creator: Chen, Yea Wen
Description: Grounded in a social penetration perspective, this exploratory study aspires to examine the impact of self-disclosure on intercultural friendship development between Taiwanese and native English speakers by a section of the following populations: (a) Taiwanese sojourning in the US, (b) native English speakers sojourning in Taiwan, and (c) Taiwanese in Taiwan. This research employed a triangulation of quantitative surveys and qualitative interviews to answer the proposed research questions and hypothesis regarding four dimensions and six topics of self-disclosure. Consistent with the quantitative results, the five themes that emerged from the qualitative analysis indicate both unique challenges in self-disclosing to intercultural friends and a positive association between self-disclosure and cultural adaptation. Additionally, this study highlights the role of self-disclosure in the four identified stages of intercultural friendship development. Finally, findings from this study have implications for the social penetration theory, anxiety/uncertainly management theory, and theory of adaptation in intercultural dyads.
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Basic Elements Necessary for Permanent World Peace

Basic Elements Necessary for Permanent World Peace

Date: 1947
Creator: Mitchell, Joe
Description: The purpose of this study is to make a survey of the efforts that have been made to secure world peace and to present some basic elements necessary in any workable world peace organization. Stress will be placed not on military power or economic difficulties but on the fundamental human relationships of mankind.
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To Determine a Sound Source of Public School Revenue in Texas

To Determine a Sound Source of Public School Revenue in Texas

Date: 1947
Creator: Davis, William Wilson
Description: The purpose of this study is to attempt to determine a sound source of public school revenue in the state of Texas.
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The Use of Auditory and Visual Aids in Eighty Public Schools of Texas

The Use of Auditory and Visual Aids in Eighty Public Schools of Texas

Date: 1947
Creator: Fagg, James Noel
Description: The problem of this investigation was two-fold: first, to obtain general information on auditory and visual aids and their apparent values in the schoolroom; and second, to find out to what extent these aids were used in eighty representative schools of Texas during 1945-1946.
Contributing Partner: UNT Libraries