\begin{thenomenclature} 

 \nomgroup{A}

  \item [{SCC-DFTB}]\begingroup self-consistent charge  density functional based tight-binding  \nomeqref {0}
  \nompageref{viii}
  \item [{PAH}]\begingroup  polycyclic aromatic hydrocarbons \nomeqref {0}
  \nompageref{viii}
  \item [{DFT}]\begingroup densituy functional theory  \nomeqref {0}
		\nompageref{viii}
  \item [{PES}]\begingroup potential energy surface \nomeqref {0}
		\nompageref{viii}	
 \item [{FF}]\begingroup force field  \nomeqref {0}
		\nompageref{viii}  
\item [{MM}]\begingroup molecular mechanics  \nomeqref {0}
		\nompageref{viii}	
\item [{MCTDH}]\begingroup multi-configuration time-dependent Hartree	 \nomeqref {0}
		\nompageref{viii}				
  \item [{MD}]\begingroup molecular dynamics \nomeqref {0}
		\nompageref{viii}
  \item [{BO}]\begingroup Born-Op­pen­heimer \nomeqref {0}
		\nompageref{viii}
  \item [{HF}]\begingroup Hartree-Fock \nomeqref {0}
		\nompageref{viii}						
  \item [{KS}]\begingroup Kohn-Sham  \nomeqref {0}
		\nompageref{viii}	 
  \item [{DFTB}]\begingroup density functional based tight-binding  \nomeqref {0}
		\nompageref{viii}	
  \item [{LCAO}]\begingroup linear combination of atomic orbitals  \nomeqref {0}
		\nompageref{viii}
\item [{CC}]\begingroup coupled cluster \nomeqref {0}
		\nompageref{viii}
\item [{CI}]\begingroup configuration interaction	  \nomeqref {0}
		\nompageref{viii}		
\item [{CSF}]\begingroup configuration state function  \nomeqref {0}
\nompageref{viii}		
\item [{MP2}]\begingroup Møller-Plesset perturbation theory at second-order  \nomeqref {0} 
\nompageref{viii}				
\item [{HK}]\begingroup Hohenberg–Kohn \nomeqref {0}
\nompageref{viii}
\item [{LDA}]\begingroup local density approximation \nomeqref {0}
\nompageref{viii}
\item [{GGA}]\begingroup generalized gradient approximation \nomeqref {0}
\nompageref{viii}
\item [{NBO}]\begingroup natural bond order \nomeqref {0}
\nompageref{viii}
\item [{CM3}]\begingroup class IV - charge model 3 \nomeqref {0}
\nompageref{viii}
  \item [{PTMD}]\begingroup parallel-tempering molecular dynamics \nomeqref {0}
		\nompageref{viii}
\item [{VV}]\begingroup  Velocity Verlet algorithm  \nomeqref {0}
		\nompageref{viii}						
  \item [{QM}]\begingroup quantum chemical \nomeqref {0}
		\nompageref{viii}		 
 \item [{CAD}]\begingroup collisionally activated dissociation  \nomeqref {0}
		\nompageref{viii}	
 \item [{CID}]\begingroup collision‐induced dissociation  \nomeqref {0}
		\nompageref{viii}			
 \item [{SCF}]\begingroup self-consistent field \nomeqref {0}
		\nompageref{viii}	
			
\item [{ZPVE}]\begingroup zero-point vibrational energy  \nomeqref {0}
		\nompageref{viii}					
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}	

		
\item [{PST}]\begingroup phase space theory  \nomeqref {0}
		\nompageref{viii}	
\item [{TOFMS}]\begingroup Time of flight of mass spectrum  \nomeqref {0}
		\nompageref{viii}		
\item [{BIRD}]\begingroup blackbody infrared radiative dissociation  \nomeqref {0}
		\nompageref{viii}
\item [{TCID}]\begingroup Threshold collision-induced dissociation  \nomeqref {0}
		\nompageref{viii}
\item [{ICID}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}		
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  p.  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  p.  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  p.  \nomeqref {0}
		\nompageref{viii}
\item [{BSSE}]\begingroup basis set superposition errors  p.  \nomeqref {0}
		\nompageref{viii}
		


\end{thenomenclature}