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HIGH RESOLUTION STUDY OF THE CONFORMATIONAL LANDSCAPE OF BIOMOLECULES IN THE GAS PHASE

by Nguyen, Tri

Abstract (Summary)
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.
Bibliographical Information:

Advisor:David W. Pratt; Hrvoje Petek; Sunil Saxena; Joseph Grabowski

School:University of Pittsburgh

School Location:USA - Pennsylvania

Source Type:Master's Thesis

Keywords:chemistry

ISBN:

Date of Publication:03/30/2006

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