\nomenclatureentry{aPAH@[{PAH}]\begingroup polycyclic aromatic hydrocarbons; p. 4\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aPES@[{PES}]\begingroup potential energy surface; page 5\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aMD@[{MD}]\begingroup molecular dynamics; p. 30\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aFF@[{FF}]\begingroup force field;  p. 17\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aBO@[{BO}]\begingroup Born-Op­pen­heimer; p. 18\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aHF@[{HF}]\begingroup Hartree-Fock; p. 20 \nomeqref {0}|nompageref}{x}
\nomenclatureentry{aKS@[{KS}]\begingroup Kohn-Sham p. 20\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aDFT@[{DFT}]\begingroup densituy functional theory p.\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aDFTB@[{DFTB}]\begingroup \nomeqref {0}|nompageref}{x}
\nomenclatureentry{aSCC-DFTB@[{SCC-DFTB}]\begingroup Density Functional based Tight-Binding p. XX\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aPTMD@[{PTMD}]\begingroup Parallel-tempering molecular dynamics p. XX\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aQM@[{QM}]\begingroup quantum chemical; p. \nomeqref {0}|nompageref}{x}
\nomenclatureentry{aMM@[{MM}]\begingroup molecular mechanics p. \nomeqref {0}|nompageref}{x}
\nomenclatureentry{aCAD@[{CAD}]\begingroup collisionally activated dissociation p, 84\nomeqref {0}|nompageref}{x}
\nomenclatureentry{aCID@[{CID}]\begingroup collision‐induced dissociation p, 84\nomeqref {0}|nompageref}{x}
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