3 Matching Results

Search Results

Results: 1 - 3
open access

Comparison of Homework Systems (Four Web-Based) used in First-Semester General Chemistry

Description: Web-based homework systems are becoming more common in general chemistry as instructors face ever-increasing enrollment. Yet providing meaningful feedback on assignments remains of the utmost importance. Chemistry instructors consider completion of homework integral to students' success in chemistry, yet only a few studies have compared the use of Web-based systems to the traditional paper-and-pencil homework within general chemistry. This study compares the traditional homework system to four … more
Date: May 2009
Creator: Belland, Joshua
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Reducing the Computational Cost of Ab Initio Methods

Description: In recent years, advances in computer technology combined with new ab initio computational methods have allowed for dramatic improvement in the prediction of energetic properties. Unfortunately, even with these advances, the extensive computational cost, in terms of computer time, memory, and disk space of the sophisticated methods required to achieve chemical accuracy - defined as 1 kcal/mol from reliable experimental data effectively - limits the size of molecules [i.e. less than 10-15 non-h… more
Date: August 2008
Creator: Mintz, Benjamin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets

Description: The development of the semi-empirical atomistic potential called the embedded atom method (EAM) has allowed for the efficient modeling of solid-state environments, at a lower computational cost than afforded by density functional theory (DFT). This offers the capability of EAM to model the energetics of solid-state phases of varying coordination, including defects, such as vacancies and self-interstitials. This dissertation highlights the development and application of two EAMs: a Ti potential … more
Date: May 2014
Creator: Gibson, Joshua S.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
Back to Top of Screen