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\nomenclature{PAH}{polycyclic aromatic hydrocarbons; p. 4}
\nomenclature{PES}{potential energy surface; page 5}
\nomenclature{MD}{molecular dynamics; p. 30}
\nomenclature{FF}{force field;  p. 17} 
\nomenclature{BO}{Born-Op­pen­heimer; p. 18} 
\nomenclature{HF}{Hartree-Fock; p. 20 } 
\nomenclature{KS}{Kohn-Sham p. 20} 
\nomenclature{DFT}{densituy functional theory p.} 
\nomenclature{DFTB}{} 
\nomenclature{SCC-DFTB}{Density Functional based Tight-Binding p. XX} 
\nomenclature{PTMD}{Parallel-tempering molecular dynamics p. XX} 
\nomenclature{QM}{quantum chemical; p. } 
\nomenclature{MM}{molecular mechanics p. } 
\nomenclature{CAD}{collisionally activated dissociation p, 84} 
\nomenclature{CID}{collision‐induced dissociation p, 84}
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