Category:計算化学ソフトウェア

Gaussian (software)

MOPAC

AMPAC

Dirac (software)

GAMESS

Amsterdam Density Functional

CRYSTAL (software)

Firefly (computer program)

GAMESS (UK)

GAMESS (US)

Open Babel

ORCA (quantum chemistry program)

PSI (computational chemistry)

Quantum ESPRESSO

Vienna Ab initio Simulation Package

Scigress

CP2K

CHELPG

MOLCAS

ABINIT

Gabedit

Spartan (chemistry software)

Ribbon diagram