From a3d96df7c18780528713ba979ab7bcb75db7be08 Mon Sep 17 00:00:00 2001
From: kilian <Kilian.seng@web.de>
Date: Wed, 22 Jul 2026 10:27:17 +0200
Subject: [PATCH] Dateien nach "Report" hochladen

---
 Report/Masterthesis.tex | 47 ++++++++++++++++++++++++++++++++++++
 Report/refs.bib         | 53 +++++++++++++++++++++++++++++++++++++++++
 2 files changed, 100 insertions(+)
 create mode 100644 Report/Masterthesis.tex
 create mode 100644 Report/refs.bib

diff --git a/Report/Masterthesis.tex b/Report/Masterthesis.tex
new file mode 100644
index 0000000..f61d185
--- /dev/null
+++ b/Report/Masterthesis.tex
@@ -0,0 +1,47 @@
+%!TeX TXS-program:bibliography = txs:///biber
+
+\documentclass{article}
+\usepackage{graphicx}
+\usepackage{amsmath}
+\usepackage[style=numeric, sorting=none,backend=biber]{biblatex}
+\addbibresource{refs.bib}
+\title{Graph Rewriting and NMR Spectroscopy in Chemical Reaction Network Modelling}
+\author{Kilian Seng}
+\date{\today}
+
+\begin{document}
+	\begin{titlepage}
+		\maketitle
+	\end{titlepage}
+	\tableofcontents
+	\newpage
+	\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}
+	
+	
+	
+	
+	
+	\newpage
+	\printbibliography	
+\end{document}
\ No newline at end of file
diff --git a/Report/refs.bib b/Report/refs.bib
new file mode 100644
index 0000000..42a565f
--- /dev/null
+++ b/Report/refs.bib
@@ -0,0 +1,53 @@
+@article{ORCA,
+	author = {Neese,F.},
+	title = {The ORCA program system},
+	journal = {WIRES Comput. Molec. Sci.},
+	volume = {2},
+	number = {1},
+	pages = {73-78},
+	DOI = {10.1002/wcms.81},
+	year = {2012},
+	type = {journal Article}
+}
+@misc{ Nobody06,
+	author = "Nobody Jr",
+	title = "My Article",
+	year = "2006" } 
+@article{Test,
+	author = {authorTest},
+	title = {titleTest},
+	journaltitle = {journaltitleTest},
+	date = {11.07.2001},
+	OPTtranslator = {translatorTest},
+	OPTannotator = {annotatorTest},
+	OPTcommentator = {commentatorTest},
+	OPTsubtitle = {subtitleTest},
+	OPTtitleaddon = {titleaddonTest},
+	OPTeditor = {editorTest},
+	OPTeditora = {editoraTest},
+	OPTeditorb = {editorbTest},
+	OPTeditorc = {editorcTest},
+	OPTjournalsubtitle = {journalsubtitleTest},
+	OPTissuetitle = {issuetitleTest},
+	OPTissuesubtitle = {issuesubtitleTest},
+	OPTlanguage = {languageTest},
+	OPToriglanguage = {origlanguageTest},
+	OPTseries = {seriesTest},
+	OPTvolume = {volumeTest},
+	OPTnumber = {numberTest},
+	OPTeid = {eidTest},
+	OPTissue = {issueTest},
+	OPTmonth = {monthTest},
+	OPTpages = {pagesTest},
+	OPTversion = {versionTest},
+	OPTnote = {noteTest},
+	OPTissn = {issnTest},
+	OPTaddendum = {addendumTest},
+	OPTpubstate = {pubstateTest},
+	OPTdoi = {doiTest},
+	OPTeprint = {eprintTest},
+	OPTeprintclass = {eprintclassTest},
+	OPTeprinttype = {eprinttypeTest},
+	OPTurl = {urlTest},
+	OPTurldate = {urldateTest},
+}