Category:計算化学ソフトウェア

Gaussian (software)

Ribbon diagram

MOPAC

Avogadro (software)

CP2K

Scigress

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

TURBOMOLE

Spartan (chemistry software)

ABINIT

CHELPG