Aprotic solvents Aromatic nucleophilic substitution 1-chloro-2 , 4-dinitrobenzene 2-Guanidinobenzimidazole Ab initio density functional theories (DFT) Ab-initio calculations Amines Amino acids Aromatization Basis set superposition errors Calculations Charged particles Computational costs Continuum mechanics Copyrights Counterpoise correction method DFT calculations Density functional theory Diamines Dimer nucleophile mechanisms Dimers Discrete event driven Equations of motion Geant4 simulation toolkit Hydrogen Hydrogen bond Hydrogen bonded nucleophiles Hydrogen bonds Intersection points Iterative algorithm