Category:計算化学ソフトウェア
リボンダイアグラム
Ribbon diagramHyperChem
Winmostar
WinmostarGaussian
Gaussian (software)Avogadro
Avogadro (software)Scigress
ScigressATOMCI
ABINIT
ABINITSpartan
Spartan (chemistry software)MOPAC
MOPACNTChem
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)TURBOMOLE
TURBOMOLEQuantum ESPRESSO
Quantum ESPRESSOVienna Ab initio Simulation Package
Vienna Ab initio Simulation PackageCP2K
CP2K