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Martinez, Todd J. Hudock, Hanneli 2015-09-25T22:13:54Z 2015-09-25T22:13:54Z 10000-01-01 2008 2008 The excited state dynamics of nucleic acids has been a subject of much experimental and theoretical interest. Nucleic acid bases readily absorb UV radiation, which can lead to mutagenic dimer formation. The dynamics of UV-excited nucleic acids is an important step in understanding how these dimers form. The pyrimidine bases (uracil, thymine, and cytosine) have been studied with ab initio multiple spawning molecular dynamics and high level electronic structure methods. This work has involved both gas-phase and aqueous dynamics as well as simulation of the time-resolved photoelectron spectrum, transient absorption, fluorescence, and reaction rates. With these findings, complete relaxation mechanisms are proposed for the pyrimidines and comparisons are made directly to experimental results. Made available in DSpace on 2015-09-25T22:13:54Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 3337798.pdf: 2425160 bytes, checksum: 49edbba0378a2f80b83f55a42a3b2014 (MD5) Previous issue date: 2008 Embargo set by: Seth Robbins for item 85592 Lift date: Forever Reason: Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs U of I Only 193 p. Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2008. http://hdl.handle.net/2142/84311 (MiAaPQ)AAI3337798 eng Physics, Theory Dynamics of UV -Excited Uracil, Thymine, and Cytosine text Chemistry Chemistry University of Illinois at Urbana-Champaign Dissertation Ph.D.