Category:計算化学ソフトウェア

Gaussian (software)

Avogadro (software)

Spartan (chemistry software)

Ribbon diagram

TURBOMOLE

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

CHELPG

Gabedit

MOLCAS