Category:計算化学ソフトウェア
Gaussian
Gaussian (software)HyperChem
Winmostar
WinmostarScigress
ScigressATOMCI
ABINIT
ABINITNTChem
AMPAC
AMPACDIRAC
Dirac (software)GAMESS
GAMESSTANPAKU
Amsterdam Density Functional
Amsterdam Density FunctionalCRYSTAL (ソフトウェア)
CRYSTAL (software)Firefly (プログラム)
Firefly (computer program)GAMESS (UK)
GAMESS (UK)GAMESS (US)
GAMESS (US)Open Babel
Open BabelORCA (量子化学プログラム)
ORCA (quantum chemistry program)PAICS
PSI (ソフトウェア)
PSI (computational chemistry)Quantum ESPRESSO
Quantum ESPRESSOVienna Ab initio Simulation Package
Vienna Ab initio Simulation PackageTURBOMOLE
TURBOMOLECHELPG
CHELPGリボンダイアグラム
Ribbon diagramGabedit
GabeditMOPAC
MOPACMOLCAS
MOLCAS