Category:計算化学ソフトウェア

MOPAC

Ribbon diagram

Avogadro (software)

Winmostar

TURBOMOLE

Gaussian (software)

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

MOLCAS

CHELPG

Spartan (chemistry software)