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Designing Conical Intersections For Light-Driven Single Molecule Rotary Motors: From Precessional To Axial Motion, Michael Filatov, Massimo Olivucci Apr 2014

Designing Conical Intersections For Light-Driven Single Molecule Rotary Motors: From Precessional To Axial Motion, Michael Filatov, Massimo Olivucci

Chemistry Faculty Publications

In the past, the design of light-driven single molecule rotary motors has been mainly guided by the modification of their ground-state conformational properties. Further progress in this field is thus likely to be achieved through a detailed understanding of light-induced dynamics of the system and the ways of modulating it by introducing chemical modifications. In the present theoretical work, the analysis of model organic chromophores and synthesized rotary motors is used for rationalizing the effect of electron-withdrawing heteroatoms (such as a cationic nitrogen) on the topography and branching plane of mechanistically relevant conical intersections. Such an analysis reveals how the …


Revealing Interaction Of Organic Adsorbates With Semiconductor Surfaces Using Chemically Enhanced Raman, Andrew K. Kuhlman, Alexey T. Zayak Mar 2014

Revealing Interaction Of Organic Adsorbates With Semiconductor Surfaces Using Chemically Enhanced Raman, Andrew K. Kuhlman, Alexey T. Zayak

Physics and Astronomy Faculty Publications

Surface enhanced Raman spectroscopy (SERS) is frequently associated with "chemical enhancement" (CE), which is an effect of the chemical coupling between reporting molecules and surfaces. While SERS technique is mainly attributed to the studies of metallic surfaces, chemical coupling must be present on semiconductor surfaces as well. Here, we examine binding of trans-1,2-two(4-pyridyl) ethylene (BPE) to various crystallographic facets of PbSe semiconductor. The calculated off-resonant Raman spectra vary significantly on different crystallographic facets of PbSe, correlating with the electronic structure of each type of semiconductor surface. We distinguish situations when the charge transfer is present and when it is not, …


Sediment Impacts Of Removal Of A Low-Head Dam On A Sand Bedload River, Ottawa River, Ohio, James E. Evans Jan 2014

Sediment Impacts Of Removal Of A Low-Head Dam On A Sand Bedload River, Ottawa River, Ohio, James E. Evans

James E. Evans

No abstract provided.


Shallow-Water Origin Of A Devonian Black Shale, Cleveland Shale Member (Ohio Shale) Northeastern Ohio, James E. Evans Jan 2014

Shallow-Water Origin Of A Devonian Black Shale, Cleveland Shale Member (Ohio Shale) Northeastern Ohio, James E. Evans

James E. Evans

No abstract provided.


Analysis Of A Sponge Bioherm From The Hermosa Group, Molas Lake Area, Colorado, Joanna Hamilton Jan 2014

Analysis Of A Sponge Bioherm From The Hermosa Group, Molas Lake Area, Colorado, Joanna Hamilton

Honors Projects

The Hermosa Group is a Pennsylvanian (~310 Ma) rock package found in the southwestern San Juan Mountains and the Paradox Basin. The Paradox Basin was an evaporite basin in which alternating carbonate, sandstone and siltstone layers were deposited at the margins. Within the carbonate layers, ancient phylloid algal mounds and sponge bioherms can be found. In this project I document fossil sponges and algae from a Hermosa Group locality in southwestern Colorado. I look at the environments in which the sponges lived, those being relatively deep water, above wave-base; as well as inter-sponge growth habits, where one is dominant and …


Prelude - An Augmented Reality Ios Application For Music Education, Kristen Brown Jan 2014

Prelude - An Augmented Reality Ios Application For Music Education, Kristen Brown

Honors Projects

Augmented reality (AR) is a technology which serves to enhance the real world environment through the addition of relevant digital content, and has many potential applications within a variety of different fields, including, but not limited to, fields such as marketing, entertainment, medicine, and education. The purpose of this project is to develop an iOS augmented reality application for music educators that will serve as a tool in teaching students to recognize specific music notes and symbols.