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 Degree Level: Doctoral
 Collection: UNT Theses and Dissertations
Accelerated Degree Program Faculty: Motivation to Teach

Accelerated Degree Program Faculty: Motivation to Teach

Date: May 2016
Creator: Grishkevich, Hanna Hults
Description: Adult educators are a growing part of American higher education. Because of their increasing prominence in adult education, it is essential to understand what roles these educators play and what motivates them to remain in the profession despite poor work prospects and conditions. Research to date, however, focuses primarily on the adult learner and not the adult educator. The purpose of this qualitative, multiple-case study was to explore the role and motivation for teaching of adult educators employed as adjunct faculty in an accelerated degree program at a small, liberal arts college in the northwest United States. Purposeful sampling was used to select the five participants for the study. All participants taught in the program for more than five years and were considered to be successful in their positions by peers, students, and administrators. The study employed a preliminary demographic survey to solicit initial background data on the instructors. Other data collection included in-depth, open-ended, face-to-face interviews, document analysis, and classroom observation. The results showed that all five participants identified the following roles and assumed them in the classroom: (a) facilitator, (b) listener, (c) specialist, (d) guide, (e) adviser, and (f) co-learner or colleague. Further results showed that all five ...
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Accelerator Mass Spectrometry Studies of Highly Charged Molecular Ions

Accelerator Mass Spectrometry Studies of Highly Charged Molecular Ions

Date: December 1994
Creator: Kim, Yong-Dal
Description: The existence of singly, doubly, and triply charged diatomic molecular ions was observed by using an Accelerator Mass Spectrometry (AMS) technique. The mean lifetimes of 3 MeV boron diatomic molecular ions were measured. No isotopic effects on the mean lifetimes of boron diatomic molecules were observed for charge state 3+. Also, the mean lifetime of SiF^3+ was measured.
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Accent and Grouping Structures in the String Quartets of Béla Bartók

Accent and Grouping Structures in the String Quartets of Béla Bartók

Date: May 2001
Creator: Bocanegra, Cheryl D.
Description: The music of Béla Bartók is defined in part by its unique blend of rhythmic vitality and inventiveness, and his string quartets offer a glimpse into a consistency of technique evident throughout his compositional career. Bartók's rhythmic environments are primarily metrical, but many of his rhythmic configurations are placed in such a way as to potentially override established meter. It is necessary, therefore, to institute an analytical means by which the delineation and comparison of rhythmic structures both within and without the metrical context may be accomplished. An analytical method using Timepoint Accent Structures (TAS) allows for the comparison of rhythms resulting from patterns of accent produced by pitch onset, dynamic stress, articulation or any other accentual factors. Timepoint Grouping Structures (TGS) delineate the number of timepoints present in alternating groups/blocks in a texture, thereby allowing for the recognition of patterning created by these larger groups. By applying TAS and TGS analysis, relationships of rhythmic equivalency, rotation, retrograde, complementation, augmentation, diminution, subset, superset, exchange, compression and expansion are clearly confirmed in the string quartets. In addition, symmetrical structures and arithmetic progressions are discovered. In many ways, Bartók's rhythmic organization mimics his procedures of pitch structuring.
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Acceptance Theories for Behavior in Conducting Research: Instructors in the Rajabhat University System, Thailand

Acceptance Theories for Behavior in Conducting Research: Instructors in the Rajabhat University System, Thailand

Date: December 2015
Creator: Laksaniyanon, Benchamat
Description: Responding to globalization and its effects on education and research development, the Thai government decided to push all public universities to become autonomous and establish a system of quality assurances. The establishment of quality assurances has had a large impact on many Thai instructors, especially in new public universities. Thai instructors are now forced to more focus on conducting research because the number of research publications is regarded as one of the main criteria for quality universities. The purpose of this study is to investigate the key factors, at the individual and university levels, which impact on the instructors' behavior in conducting research of the full-time instructors in the faculty of Management Science from the Rajabhat Universities in Thailand. The current study will help explain how and why the instructors accept or refuse to conduct research and provide insight into the salient factors motivating the instructors to produce more research by conducting HLM. Data were collected from 694 participants at 37 institutions via a questionnaire survey. The findings revealed that there was no difference among these 37 universities on behavior in conducting research. The key factors statistically influencing behavior in conducting research of the instructors were facilitating conditions, academic degree, ...
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Acceptor-sensitizers for Nanostructured Oxide Semiconductor in Excitonic Solar Cells

Acceptor-sensitizers for Nanostructured Oxide Semiconductor in Excitonic Solar Cells

Date: August 2014
Creator: Berhe, Seare Ahferom
Description: Organic dyes are examined in photoelectrochemical systems wherein they engage in thermal (rather than photoexcited) electron donation into metal oxide semiconductors. These studies are intended to elucidate fundamental parameters of electron transfer in photoelectrochemical cells. Development of novel methods for the structure/property tuning of electroactive dyes and the preparation of nanostructured semiconductors have also been discovered in the course of the presented work. Acceptor sensitized polymer oxide solar cell devices were assembled and the impact of the acceptor dyes were studied. The optoelectronic tuning of boron-chelated azadipyrromethene dyes has been explored by the substitution of carbon substituents in place of fluoride atoms at boron. Stability of singlet exited state and level of reduction potential of these series of aza-BODIPY coumpounds were studied in order to employ them as electron-accepting sensitizers in solid state dye sensitized solar cells.
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Accessing Information on the World Wide Web: Predicting Usage Based on Involvement

Accessing Information on the World Wide Web: Predicting Usage Based on Involvement

Date: May 2003
Creator: Langford, James David
Description: Advice for Web designers often includes an admonition to use short, scannable, bullet-pointed text, reflecting the common belief that browsing the Web most often involves scanning rather than reading. Literature from several disciplines focuses on the myriad combinations of factors related to online reading but studies of the users' interests and motivations appear to offer a more promising avenue for understanding how users utilize information on Web pages. This study utilized the modified Personal Involvement Inventory (PII), a ten-item instrument used primarily in the marketing and advertising fields, to measure interest and motivation toward a topic presented on the Web. Two sites were constructed from Reader's Digest Association, Inc. online articles and a program written to track students' use of the site. Behavior was measured by the initial choice of short versus longer versions of the main page, the number of pages visited and the amount of time spent on the site. Data were gathered from students at a small, private university in the southwest part of the United States to answer six hypotheses which posited that subjects with higher involvement in a topic presented on the Web and a more positive attitude toward the Web would tend to select ...
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Accessing the Power of Aesthetics in Human-computer Interaction

Accessing the Power of Aesthetics in Human-computer Interaction

Date: August 2013
Creator: Chenyan, Xu
Description: In information systems design there are two schools of thought about what factors are necessary to create a successful information system. The first, conventional view holds that system performance is a key, so that efficiency characteristics such as system usability and task completion time are primary concerns of system designers. The second, emerging view holds that the visual design is also the key, so that visual interface characteristics such as visual appeal, in addition to efficiency characteristics, are critical concerns of designers. This view contends that visual design enhances system use. Thus, this work examines the effects of visual design on computer systems. Visual design exerts its influence on systems through two mechanisms: it evokes affective responses from IT users, such as arousal and pleasure and it influences individuals’ cognitive assessments of systems. Given that both affective and cognitive reactions are significant antecedents of user behaviors in the IT realm, it is no surprise that visual design plays a critical role in information system success. Human-computer-interaction literature indicates that visual aesthetics positively influences such information success factors as usability, online trust, user satisfaction, flow experience, and so on. Although academic research has introduced visual design into the Information Systems (IS) ...
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Accident versus Essence:  Investigating the Relationship Among Information Systems Development and Requirements Capabilities and Perceptions of Enterprise Architecture

Accident versus Essence: Investigating the Relationship Among Information Systems Development and Requirements Capabilities and Perceptions of Enterprise Architecture

Date: August 2009
Creator: Salmans, Brian R.
Description: Information systems (IS) are indelibly linked to the global economy and are indispensable to society and organizations. Despite the decisive function of IS in organizations today, IS development problems continue to plague organizations. The failure to get the system requirements right is considered to be one of the primary, if not the most significant, reasons for this high IS failure rate. Getting requirements right is most notably identified with Frederick Brooks' contention that requirements are the essence of what IT professionals do, all the rest being accidents or risk management. However, enterprise architecture (EA) may also provide the discipline to bridge the gap between effective requirements, organizational objectives, and the actual IS implementations. The intent of this research is to examine the relationship between IS development capabilities and requirements analysis and design capabilities within the context of enterprise architecture. To accomplish this, a survey of IT professionals within the Society for Information Management (SIM) was conducted. Results indicate support for the hypothesized relationship between IS development and requirements capabilities. The hypothesized relationships with the organizational demographics were not supported nor was the hypothesized positive relationship between requirements capabilities and EA perceptions. However, the nature of the relationship of requirements and ...
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Accomplished Teachers' Instructional Decisions About Shakespeare

Accomplished Teachers' Instructional Decisions About Shakespeare

Date: May 2013
Creator: Parris, Sheri Rene’
Description: Teachers' decisions are a powerful influence on student learning and it is important to fully document accomplished teachers' instructional decisions, as well as to investigate possible influences on those decisions. Shakespearean dramas are central to high school curricula across the U.S. and pose particular instructional challenges, therefore teachers' decisions about teaching these texts are of particular interest. There is limited empirical research, however, about these instructional decisions. Thus, the purpose of this study was to describe how four accomplished high school English teachers working on a single campus make instructional decisions about teaching a Shakespearean play. Specifically, research questions addressed teachers' decisions regarding the teaching of a Shakespearean play and various influences on those decisions (self-reports and inferences from the data). Case study methodology was used, including an inductive analysis of individual teacher interviews, classroom observations, focus group, instructional artifacts, and researcher's journal. The findings revealed that instructional activities described by these teachers addressed support for meaning-making during four stages of reading instruction: (a) before, during, and after; (b) before; (c) during; and (d) after. Comparison of these cases suggests that, although each teacher brings personal preferences and unique background knowledge to her instructional decisions, all make decisions to promote ...
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Accountability in Schools:  a Study of High School Accountability Ratings and College Success

Accountability in Schools: a Study of High School Accountability Ratings and College Success

Date: August 2013
Creator: Orsborn, Shannon
Description: The purpose of this study was to determine the relationship between high school campus accountability ratings, college readiness indicators, and the percent of students who achieved first year college success. Correlation and multiple regression analyses were used to analyze the relationship between the variables. Data was analyzed for two-year and four-year postsecondary educational institutions which were divided by eight school district types. Regression analysis of the relationship between high school campus accountability ratings and the percent of students who achieved first year college success for four- year post secondary educational institutions revealed statistically significant results ranging from R2 =.179 to R2 = .220. Similar results were found for two-year post secondary educational institutions with statistically significant results ranging from R2 = .049 to R2 = .218. The results indicated negligible to small relationships between the variables. Regression results of the analysis for the relationship between college readiness indicators and the percent of students who achieved first year college success revealed statistically significant results for 2 - year post secondary educational institutions ranging from R2 = .077 to R2 = .596 and for 4 -year post secondary educational institutions ranging from R2 = .048 to R2 = .304. These results indicated ...
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Accounting for Human Resources: Implications for Theory and Practice.

Accounting for Human Resources: Implications for Theory and Practice.

Date: December 2001
Creator: Stovall, Olin Scott
Description: Knowledge workers are an important resource for the typical modern business firm, yet financial reporting ignores such resources. Some researchers contend that the accounting profession has stressed reliability in order to make the accounting appear objective. Others concur, noting that accounting is an insecure profession and adopts strict rules when faced with uncertainty. Accountants have promulgated a strict rule to expense human resource costs, although many know that such resources have future benefits. Some researchers suggest that any discipline must modify its language in order to initiate change toward providing useful social ameliorations. If accounting theorists extend this idea to the accounting lexicon.s description of investments in human resources, investors and other accounting user groups might gain greater insight into how a firm fosters and nourishes human capital. I tested three hypotheses related to this issue by administering an experiment designed to assess financial analysts. perceptions about alternative financial statement treatments of human resources in an investment recommendation task. I predicted that (1) analysts' perceptions of the reliability (relevance) of the information they received would decrease (increase) as the treatment of human resources increasingly violated GAAP (became more current-oriented), (2) analysts exposed to alternative accounting treatments would report a lower ...
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Accounting Measurement Bias and Executive Compensation Systems

Accounting Measurement Bias and Executive Compensation Systems

Date: December 1994
Creator: Boone, Jeffery Paul
Description: This dissertation presents empirical evidence intended to help answer two research questions. The first question asks whether executive compensation systems appear to exploit the bias in accounting-based performance measures in order to reduce the volatility in executive compensation and to allocate incentives more effectively across the range of activities performed by the executive. The second question asks whether compensation systems systematically differ between firms that use alternative accounting methods and whether any such systematic difference helps explain accounting choice. Parameters estimated in fixed-effects endogenous switching regression models were used to test the risk-shielding and incentive-allocation hypotheses. The models were estimated across a dataset consisting of 1151 executive-year observations of annual compensation paid to 222 top-level executives in 40 oil and gas firms. The dataset was partitioned by accounting method and separate models estimated for the full cost and successful efforts partitions. The tests provided modest support for the risk-shielding and incentive-allocation hypotheses, revealing that accounting measurement bias is used to focus incentives for effort in the exploration activity and to reduce executives' exposure to production risk. The design also allowed an estimate of the proportional change in compensation that was realized from the accounting choice actually made.
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Accounting Regulation and Information Asymmetry in the Capital Markets: An Empirical Study of Accounting Standard SFAS no 87

Accounting Regulation and Information Asymmetry in the Capital Markets: An Empirical Study of Accounting Standard SFAS no 87

Date: August 1994
Creator: Lin, Wen-shan
Description: This study uses both basic and self-selection regression models to test three hypotheses about the effect of SFAS 87 disclosures on information asymmetry during 1985- 1987. Both types of models test the hypotheses after controlling for changes in the inventory holding and order processing costs of the spread, while the self-selection models also control for potential self-selection bias.
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Accreditation Facilitation Projects:  Supporting High Quality Early Childhood Education and Care

Accreditation Facilitation Projects: Supporting High Quality Early Childhood Education and Care

Date: May 2013
Creator: Reinke, Stephanie L.
Description: High-quality early childhood education and care (ECEC) are linked to positive developmental outcomes for children. Systems have been created to define, measure and promote high-quality ECEC. National accreditation status is deemed the gold standard of a high-quality program, yet many centers are unable to achieve this without assistance. With the help of Accreditation Facilitation Projects (AFPs), many low-income centers are able to achieve accreditation. Centers collaborating with an AFP reap many benefits including financial support, ongoing training and mentoring, and guidance through the accreditation process. AFPs invest greatly in the centers they collaborate with and the longer the center takes to achieve accreditation, the more resources an AFP must expend. The purposes of this study were to understand if the educational level of center director, the total enrollment of a center, or the percentage of children receiving government subsidies could predict the time it takes for a center to complete the accreditation process while receiving assistance from an AFP, and to determine if there are differences in attitudes about program accreditation between center directors and early learning specialists who serve as accreditation mentors to the directors. Findings revealed that a) the higher educational level of program directors is associated with ...
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Acculturation and Sociocultural Influences as Predictors of Family Relationships and Body Image Dissatisfaction in African American, Hispanic American, and European American Women

Acculturation and Sociocultural Influences as Predictors of Family Relationships and Body Image Dissatisfaction in African American, Hispanic American, and European American Women

Date: December 2006
Creator: Garcia-Rea, Elizabeth Ann
Description: Ethnic differences in etiological factors linked to body image dissatisfaction and eating disorders were examined. In addition, the interaction of acculturation and body image dissatisfaction in influencing minority women's relationships with their parents was investigated. Participants consisted of 302 undergraduates from three ethnic groups: Caucasian, Hispanic American, and African American women who were administered self-report measures. Differences were not found between the groups in body image dissatisfaction. Low self-esteem, internalization of the thin ideal, and family emphasis on weight and appearance were all related to more body image dissatisfaction for each of these groups; however, differences in degree of endorsement were also noted between the ethnic groups on these factors. Based on the interaction findings (body image x acculturation) separation from one's mother was found in the area of attitudes and emotions for the Hispanic sample but not for the African American sample on any of the parent scales. Areas for future research and implications for diagnosis and treatment of minority populations are also discussed.
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Acculturation in African American College Women and Correlates of Eating Disorders

Acculturation in African American College Women and Correlates of Eating Disorders

Date: August 1996
Creator: Lester, Regan
Description: Although eating disorders have been the focus of much research, the inclusion of minority populations has been minimal. A recent review of the literature by Dolan (1991) has found that eating disorders were most likely to be present in non-White women who were exposed to Western societies and cultures. Thus, the purpose of this study was to examine personality, physical, and cultural correlates of bulimic symptomatology in a sample of African American college women. The Bulimia Test Revised (BULIT-R) was used to assess bulimia symptoms. The African American Acculturation Scale (AAAS), the Beliefs about Attractiveness Scale Revised (BAAR factors 1 and 2), the Rosenberg Self-Esteem Scale (SES), the Centers for Epidemiological Depression Scale (CES-D), Body Parts Satisfaction Scale (BPSS), and body mass were the independent variables hypothesized to predict bulimic symptoms. Hierarchical regression analysis revealed that body mass, depression, and low self-esteem were the best predictors of bulimic symptomatology, together accounting for 38% of the variance. Beliefs about attractiveness and body satisfaction were related to bulimic symptoms but not when considered simultaneously with the other variables. Acculturation was not predictive of bulimic symptoms. 0-ordered correlations revealed that beliefs about attractiveness and body satisfaction were correlated with bulimic symptoms. Acculturation was ...
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Acculturation Level, Generational Status and Gender: Their Role in Acculturative Stress in Young Adolescent Mexican Americans

Acculturation Level, Generational Status and Gender: Their Role in Acculturative Stress in Young Adolescent Mexican Americans

Date: August 2004
Creator: Manning, Suzanne C.
Description: The purpose of this study was to determine relationships between acculturation level, generational status, and gender with acculturative stress. Acculturation level was determined by the Acculturation Rating Scale for Mexican Americans-II (ARSMA-II) and acculturative stress was determined by the Societal, Attitudinal, Familial and Environmental Acculturative Stress Scale-Children's Version (SAFE-C). Subjects included 1268 Hispanic children ages 11-15. In order to validate the usefulness of the ARSMA-II with this sample, analyses were conducted between acculturation level and generational status. The Pearson product moment correlation (r=.44) and the ANOVA between the mean acculturation score and generational status were significant. However, the mean acculturation score from this study was considerably lower than the ARSMA-II score; therefore, new acculturation levels were developed to establish local adolescent norms for the ARSMA-II. All analyses involving acculturation levels were conducted using both the ARSMA-II and new acculturation levels because 300 subjects were reclassified with the new norms. Significant results were similar using both acculturation levels; however, there were more between group differences using the new acculturation levels. It was hypothesized that as acculturation level increased toward the Anglo culture, acculturative stress would decrease. The one-way ANOVA confirmed this relationship. It was also hypothesized that as generational status increased, ...
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Acculturation, Self-Concept, Anxiety, Imagery, and Stress as Related to Disease in Mexican-Americans

Acculturation, Self-Concept, Anxiety, Imagery, and Stress as Related to Disease in Mexican-Americans

Date: December 1981
Creator: unknown
Description: None
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Acculturative Processes and Their Impact on Self-Reports of Psychological Distress in Mexican-American Adolescents

Acculturative Processes and Their Impact on Self-Reports of Psychological Distress in Mexican-American Adolescents

Date: May 2003
Creator: Garrison, Lance A.
Description: The current study examined the effects of acculturative processes on the self-report of behavioral problems in Hispanic children ages 11-14. Acculturation was measured by the Acculturation Rating Scale for Mexican Americans-II (ARSMA-II) (ã Sage Publications, Thousand Oaks, CA, www.sagepub.com) (Cuellar, Arnold, and Maldonado, 1995) and the self-report of behavioral symptoms was assessed using the Youth Self-Report (ã T.M. Achenbach, Burlington, VT, www.aseba.com) (Achenbach, 1991). It was hypothesized that while both the linear and orthogonal categories of acculturation would account for a significant proportion of the variance in behavior problems in this age group, the orthogonal model would account for a larger proportion of variance due to its multidimensional nature. As well, it was hypothesized that the experimental Marginalization scales of the ARSMA-II would be predictive of behavioral problems. Multivariate analysis of variance was used to test these hypotheses and results were non-significant for the linear, orthogonal, and marginalization categories. The effects of the ethnic/cultural homogeneity of the region from which the sample was drawn, the buffering of social support, and the developmental aspects of ethnic identity are discussed as factors which may have influenced the potential impact of acculturative stress on psychological and behavioral functioning.
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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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Accuracy and Interpretability Testing of Text Mining Methods

Accuracy and Interpretability Testing of Text Mining Methods

Date: August 2013
Creator: Ashton, Triss A.
Description: Extracting meaningful information from large collections of text data is problematic because of the sheer size of the database. However, automated analytic methods capable of processing such data have emerged. These methods, collectively called text mining first began to appear in 1988. A number of additional text mining methods quickly developed in independent research silos with each based on unique mathematical algorithms. How good each of these methods are at analyzing text is unclear. Method development typically evolves from some research silo centric requirement with the success of the method measured by a custom requirement-based metric. Results of the new method are then compared to another method that was similarly developed. The proposed research introduces an experimentally designed testing method to text mining that eliminates research silo bias and simultaneously evaluates methods from all of the major context-region text mining method families. The proposed research method follows a random block factorial design with two treatments consisting of three and five levels (RBF-35) with repeated measures. Contribution of the research is threefold. First, the users perceived a difference in the effectiveness of the various methods. Second, while still not clear, there are characteristics with in the text collection that affect the ...
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Accuracy of Eyewitness Memory Under Leading Questioning: The Effects of Hypnosis and Anxiety

Accuracy of Eyewitness Memory Under Leading Questioning: The Effects of Hypnosis and Anxiety

Date: August 1984
Creator: Atkins, Loy Keith
Description: None
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Accuracy of Partner Perception and Relationship Satisfaction: Investigating Masturbatory Habits

Accuracy of Partner Perception and Relationship Satisfaction: Investigating Masturbatory Habits

Date: August 2016
Creator: Ramos, Marciana Julia
Description: An individual's perceptions of various aspects of one's romantic relationship (irrespective of whether or not the perceptions align with reality) often play a critical role in romantic relationship satisfaction. Research has demonstrated that the accuracy of an individual's perception of his or her partner is generally positively related to the individual's romantic relationship satisfaction. However, when perceiving negative or conflictual messages from a partner, an individual's accuracy of perception is negatively associated with his or her romantic relationship satisfaction. Researchers have suggested that poor accuracy in perceiving negative messages might diffuse the negative intention in a way that is less impactful to the relationship. The present study was designed to investigate accuracy in the perception of sexual topics, specifically masturbatory habits. A sample of 93 married couples (186 individuals) responded to questions about (a) their own masturbatory behaviors and (b) their perception of their partners' masturbatory behaviors to determine the accuracy of each partner's perception of his or her partner. The association between accuracy and romantic and sexual relationship satisfaction was explored, along with one potential moderating variable: attitudes toward masturbation. Perceived reason for masturbating, perceived target of arousal during masturbation, and partner's actual reason for masturbating all positively predicted ...
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Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods

Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods

Date: August 2013
Creator: Laury, Marie L.
Description: Computational chemistry has led to the greater understanding of the molecular world, from the interaction of molecules, to the composition of molecular species and materials. Of the families of computational chemistry approaches available, the main families of electronic structure methods that are capable of accurate and/or reliable predictions of energetic, structural, and spectroscopic properties are ab initio methods and density functional theory (DFT). The focus of this dissertation is to improve the accuracy of predictions and computational efficiency (with respect to memory, disk space, and computer processing time) of some computational chemistry methods, which, in turn, can extend the size of molecule that can be addressed, and, for other methods, DFT, in particular, gain greater insight into which DFT methods are more reliable than others. Much, though not all, of the focus of this dissertation is upon transition metal species – species for which much less method development has been targeted or insight about method performance has been well established. The ab initio approach that has been targeted in this work is the correlation consistent composite approach (ccCA), which has proven to be a robust, ab initio computational method for main group and first row transition metal-containing molecules yielding, on ...
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