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\title{Graph Rewriting and NMR Spectroscopy in Chemical Reaction Network Modelling}
\author{Kilian Seng}
\date{\today}

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	\section{Introduction}
	
	\section{Theoretical Basis}
		\subsection{Graphtheory}
			\subsubsection{Automorphismen}
			\subsubsection{Graphtransformation}
		\subsection{Chemical Foundation}
			\subsubsection{NMR}
			\subsubsection{Raotation in Chemical Molecules}
			In chemistry it is generally understood that under ambient temperature conditions the rotation around single bonds is possible while the rotation around double and triple bonds requires additional energy provided through either heat or preferably electro magnetic waves \cite{Test}. 
				\paragraph{$\pi$-Konjugated-Systems}
				The most universally known $\pi$-konjugated-system is benzene. 
	\section{Tools}
		\subsection{XTB-Toolgroup}
			\subsubsection{XTB}
			\subsubsection{CREST}
			\subsubsection{ENSO}
		\subsection{ORCA}
		\cite{ORCA}
		\subsection{Automorphismen3d}
		\subsubsection{M\o{}d}
		\subsection{AqmBondHistStream}
	
	
	
	
	
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