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Error bars represent one standard deviation}{figure.caption.14}{}} \citation{Kurinovich2002} \citation{Magnera1991} \citation{Cheng1998} \citation{Cheng1998} \citation{Magnera1991} \citation{Cheng1998} \citation{Kurinovich2002} \citation{Magnera1991} \citation{Cheng1998} \citation{Kurinovich2002} \citation{Bakker2008} \@writefile{lof}{\contentsline {figure}{\numberline {3.7}{\ignorespaces Proportion of neutral uracil molecule loss plotted as a function of the number of water molecules n in the parent cluster (H$_2$O)$_{n}$UH$^+$. Results obtained for collisions with Ne atoms at 7.2 eV center of mass collision energy.}}{65}{figure.caption.15}} \newlabel{Uloss}{{3.7}{65}{Proportion of neutral uracil molecule loss plotted as a function of the number of water molecules n in the parent cluster (H$_2$O)$_{n}$UH$^+$. Results obtained for collisions with Ne atoms at 7.2 eV center of mass collision energy}{figure.caption.15}{}} \@writefile{brf}{\backcite{Kurinovich2002}{{65}{3.3.2.1}{figure.caption.15}}} \@writefile{brf}{\backcite{Magnera1991}{{65}{3.3.2.1}{figure.caption.15}}} \@writefile{brf}{\backcite{Cheng1998}{{65}{3.3.2.1}{figure.caption.15}}} \@writefile{brf}{\backcite{Cheng1998}{{65}{3.3.2.1}{figure.caption.15}}} \@writefile{lof}{\contentsline {figure}{\numberline {3.8}{\ignorespaces The proton affinities of water clusters as a function of the number of water molecules n, which are taken from the work of Magnera (black circles) \cite {Magnera1991} and from the work of Cheng (blue squares).\cite {Cheng1998} The value of the proton affinity of uracil (red dotted dashed line) is also plotted.\cite {Kurinovich2002}}}{66}{figure.caption.16}} \@writefile{brf}{\backcite{Magnera1991}{{66}{3.8}{figure.caption.16}}} \@writefile{brf}{\backcite{Cheng1998}{{66}{3.8}{figure.caption.16}}} \@writefile{brf}{\backcite{Kurinovich2002}{{66}{3.8}{figure.caption.16}}} \newlabel{protonAffinity}{{3.8}{66}{The proton affinities of water clusters as a function of the number of water molecules n, which are taken from the work of Magnera (black circles) \cite {Magnera1991} and from the work of Cheng (blue squares).\cite {Cheng1998} The value of the proton affinity of uracil (red dotted dashed line) is also plotted.\cite {Kurinovich2002}}{figure.caption.16}{}} \@writefile{brf}{\backcite{Bakker2008}{{66}{3.3.2.1}{figure.caption.16}}} \citation{Wolken2000} \citation{Pedersen2014} \citation{Pedersen2014} \citation{Bakker2008} \@writefile{lot}{\contentsline {table}{\numberline {3.1}{\ignorespaces Binding energy of two (H$_2$O)U isomers at MP2/Def2TZVP and SCC-DFTB levels of theory.\relax }}{67}{table.caption.17}} \newlabel{tab:DNH}{{3.1}{67}{Binding energy of two (H$_2$O)U isomers at MP2/Def2TZVP and SCC-DFTB levels of theory.\relax }{table.caption.17}{}} \@writefile{toc}{\contentsline {subsubsection}{\numberline {3.3.2.2}Calculated Structures of Protonated Uracil Water Clusters}{67}{subsubsection.3.3.2.2}} \newlabel{calcul_ur}{{3.3.2.2}{67}{Calculated Structures of Protonated Uracil Water Clusters}{subsubsection.3.3.2.2}{}} \@writefile{brf}{\backcite{Wolken2000}{{68}{3.3.2.2}{table.caption.17}}} \@writefile{brf}{\backcite{Pedersen2014}{{68}{3.3.2.2}{table.caption.17}}} \@writefile{brf}{\backcite{Pedersen2014}{{68}{3.3.2.2}{table.caption.17}}} \@writefile{brf}{\backcite{Bakker2008}{{68}{3.3.2.2}{table.caption.17}}} \@writefile{lof}{\contentsline {figure}{\numberline {3.9}{\ignorespaces Lowest-energy structures of (H$_2$O)UH$^+$ obtained at the MP2/Def2TZVP level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \r A.}}{69}{figure.caption.18}} \newlabel{1a-f}{{3.9}{69}{Lowest-energy structures of (H$_2$O)UH$^+$ obtained at the MP2/Def2TZVP level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \AA }{figure.caption.18}{}} \@writefile{lof}{\contentsline {figure}{\numberline {3.10}{\ignorespaces Lowest-energy structures of (H$_2$O)UH$^+$ obtained at the B3LYP/6-311++G(3df,2p) level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. The corresponding values with ZPVE corrections are provided in brackets. 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Important hydrogen-bond distances are indicated in bold and are given in \r A.}}{71}{figure.caption.20}} \newlabel{2a-f}{{3.11}{71}{Lowest-energy structures of (H$_2$O)$_2$UH$^+$ obtained at the MP2/Def2TZVP level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \AA }{figure.caption.20}{}} \@writefile{brf}{\backcite{Zundel1968}{{71}{3.3.2.2}{figure.caption.23}}} \@writefile{lof}{\contentsline {figure}{\numberline {3.12}{\ignorespaces (H$_2$O)$_3$UH$^+$ lowest-energy structures obtained at the MP2/Def2TZVP level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \r A.}}{72}{figure.caption.21}} \newlabel{3a-f}{{3.12}{72}{(H$_2$O)$_3$UH$^+$ lowest-energy structures obtained at the MP2/Def2TZVP level of theory. 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Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \r A.}}{75}{figure.caption.24}} \newlabel{6a-f}{{3.15}{75}{Lowest-energy structures of (H$_2$O)$_6$UH$^+$ obtained at the MP2/Def2TZVP level of theory. Relative ($E_\textrm {rel}$) and binding energies ($E_\textrm {bind}$) are given in kcal.mol$^{-1}$. Important hydrogen-bond distances are indicated in bold and are given in \AA }{figure.caption.24}{}} \@writefile{brf}{\backcite{Molina2015}{{76}{3.3.2.2}{figure.caption.27}}} \@writefile{brf}{\backcite{Molina2016}{{76}{3.3.2.2}{figure.caption.27}}} \@writefile{toc}{\contentsline {subsection}{\numberline {3.3.3}Conclusions on (H$_2$O)$_{n}$UH$^+$ clusters}{76}{subsection.3.3.3}} \FN@pp@footnotehinttrue \@writefile{lof}{\contentsline {figure}{\numberline {3.16}{\ignorespaces Lowest-energy structures of (H$_2$O)$_7$UH$^+$ obtained at the MP2/Def2TZVP level of theory. 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