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Full-Text Articles in Other Chemistry
Dipole Bound Excited States Of Polycyclic Aromatic Hydrocarbons Containing Nitrogen And Their Relation To The Interstellar Medium, Mallory L. Theis
Dipole Bound Excited States Of Polycyclic Aromatic Hydrocarbons Containing Nitrogen And Their Relation To The Interstellar Medium, Mallory L. Theis
Honors College Theses
Polycyclic aromatic hydrocarbons (PAHs) are the most abundant type of molecule present in the interstellar medium (ISM). It has been hypothesized that nitrogen replacement within a ring is likely for PAHs present in the ISM. Additionally, electrons, protons, and hydrogen atoms are readily added to or removed from PAHs creating a truly diverse set of chemistries in various interstellar regions. The presence of a nitrogen within a PAH (called a PANH herein) that is additionally dehydrogenated leads to a neutral radical with a large dipole moment. It has recently been shown through the use of high-level quantum chemical computations for …
Structure Vs. Properties Using Chemical Graph Theory, Tabitha N. Williford
Structure Vs. Properties Using Chemical Graph Theory, Tabitha N. Williford
Electronic Theses and Dissertations
Chemical graph theory began as a way for mathematicians to bring together the areas of the Physical Sciences and Mathematics. Through its use, mathematicians are able to model chemical systems, predict their properties as well as structure-property relationships. In this dissertation, we consider two questions involving chemical graph theory and its applications. We first look at tree-like polyphenyl systems, which form an important family of compounds in Chemistry, particularly in Material Science. The importance can be seen in LEDs, transmitters, and electronics. In recent years, many extremal results regarding such systems under specific constraints have been reported. More specifically are …