Category:計算化学ソフトウェア

Gaussian (software)

MOPAC

Ribbon diagram

TURBOMOLE

Spartan (chemistry software)

Winmostar

AMPAC

Dirac (software)

GAMESS

Amsterdam Density Functional

CP2K

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

ABINIT

CHELPG

Gabedit