Programme
Molekülmechanik
HyperChem
PCMODEL
Tinker
Semiempirik
AMPAC
Gaussian
HyperChem
MOPAC
VAMP
ab initio
CADPAC
GAMESS
Gaussian
HyperChem
MOLCAS
TURBOMOLE
DFT
ADF
DGAUSS
DMOL
Gaussian/Gaussview
Programmpakete
Gaussian/Gaussview
HyperChem
Spartan
UniChem