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1. The Molecular Modeling and Characterization of Acetaminophen Using Spartan 5.0 Computational Software

open_access
Open Access
Author:
Jardine, Kayla Michelle
Title:
The Molecular Modeling and Characterization of Acetaminophen Using Spartan 5.0 Computational Software
Area of Honors:
Biology
Keywords:
chemistry
computational chemistry
molecular modeling
acetaminophen
Spartan
File:
Download Jardine_Kayla_FinalThesis.pdf
Thesis Supervisors:
Lorena Tribe, Thesis Supervisor
Dr. Sandy Feinstein, Thesis Honors Advisor

2. PARTIAL CHARGE CORRELATION FUNCTION DEFINITION OF THEORETICAL BOND ORDER, AND ITS COMPUTATION FROM EFFECTIVE MINIMAL BASIS SETS

open_access
Open Access
Author:
Bintrim, Sylvia
Title:
PARTIAL CHARGE CORRELATION FUNCTION DEFINITION OF THEORETICAL BOND ORDER, AND ITS COMPUTATION FROM EFFECTIVE MINIMAL BASIS SETS
Area of Honors:
Chemistry
Keywords:
covalent bond
computational chemistry
bond order
quantum chemistry
File:
Download final_Bintrim_thesis.pdf
Thesis Supervisors:
Gerald Knizia, Thesis Supervisor
Przemyslaw Maslak, Thesis Honors Advisor

4. First Principles Kinetic Modeling and Reactor Simulations for the Efficient Utilization of Stranded Methane Resources

open_access
Open Access
Author:
Rys, Ethan
Title:
First Principles Kinetic Modeling and Reactor Simulations for the Efficient Utilization of Stranded Methane Resources
Area of Honors:
Chemical Engineering
Keywords:
platinum
DFT
computational chemistry
VASP
non-oxidative methane coupling
catalysis
File:
Download Rys_Thesis.pdf
Thesis Supervisors:
Konstantinos Alexopoulos, Thesis Supervisor
Themis Matsoukas, Thesis Honors Advisor