Category:計算化学ソフトウェア
Gaussian
Gaussian (software)CP2K
CP2Kリボンダイアグラム
Ribbon diagramATOMCI
NTChem
AMPAC
AMPACDIRAC
Dirac (software)GAMESS
GAMESSTANPAKU
ABINIT
ABINITAmsterdam 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 PackageCHELPG
CHELPGMOLCAS
MOLCASWinmostar
WinmostarScigress
ScigressGabedit
GabeditSpartan
Spartan (chemistry software)