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Computational Chemistry...
Created by
Andrew Johnston
, last updated by
Ivan Rostov
on
May 26, 2025
1 minute read
Computational Chemistry
ADF...
ADF 2019...
ADF 2020...
Amber...
ASE...
CP2K...
CPMD...
DALTON...
DFTB+...
DMol3...
GA...
GAMESS...
Gaussian...
Gaussian 16...
Gaussian 09...
GaussView 6...
GaussView 5...
GROMACS...
LAMMPS...
libint...
Libxc...
LIGGGHTS...
Molpro...
Molpro 2019...
Molpro 2020...
MRCC...
NAMD...
NBO...
NBO/6.0...
NBO/7.0...
NWChem...
OpenMolcas...
ORCA...
PSI4...
Q-Chem...
Quantum ESPRESSO...
SIESTA...
Tinker-HP...
TURBOMOLE...
VASP...
VMD...
wannier90...
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