Rotationally resolved electronic spectroscopy has been used to map the conformational landscape of isolated biomolecules in the gas phase. A multivariate analysis based on experimental measurements supplemented by ab initio calculations provides a detailed description of the low energy regions of the potential energy surface (PES) in both the ground and excited states. Our findings lead to interesting insights into the interactive forces shaping the contours of the PES and the dynamics of interconversion pathways. A novel perspective centered on the electron distribution is presented to address the issue of the correlation of shape and functionality.
Identifer | oai:union.ndltd.org:PITT/oai:PITTETD:etd-12072005-011813 |
Date | 30 March 2006 |
Creators | Nguyen, Tri |
Contributors | David W. Pratt, Hrvoje Petek, Sunil Saxena, Joseph Grabowski |
Publisher | University of Pittsburgh |
Source Sets | University of Pittsburgh |
Language | English |
Detected Language | English |
Type | text |
Format | application/pdf |
Source | http://etd.library.pitt.edu/ETD/available/etd-12072005-011813/ |
Rights | unrestricted, I hereby certify that, if appropriate, I have obtained and attached hereto a written permission statement from the owner(s) of each third party copyrighted matter to be included in my thesis, dissertation, or project report, allowing distribution as specified below. I certify that the version I submitted is the same as that approved by my advisory committee. I hereby grant to University of Pittsburgh or its agents the non-exclusive license to archive and make accessible, under the conditions specified below, my thesis, dissertation, or project report in whole or in part in all forms of media, now or hereafter known. I retain all other ownership rights to the copyright of the thesis, dissertation or project report. I also retain the right to use in future works (such as articles or books) all or part of this thesis, dissertation, or project report. |
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