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Grimme
DFT-D3
DFT-D4
FODplot
gCP
gCP-D3 Webservice
GMTKN
HF-3c
MOR41
QCEIMS
QMDFF
QMSIM
ROST61
sTDA
TMG145
AZIDE
xtb
Kirchner
FOMD
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Peacemaker
TRAVIS
Bredow
Basis sets for solids
MSINDO
Neese
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Grimme group
DFT-D3 - A dispersion correction for DFT-functionals
DFT-D4 - A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
FODplot tools for TURBOMOLE
gCP - A geometrical counterpoise correction for HF and DFT
gCP-D3 Webservice - calculating online gCP-D3 corrections
The GMTKN databases
HF-3c - A Corrected Small Basis Set Hartree-Fock Method
Metal-organic reactions (MOR41)
QCEIMS (Quantum Chemistry Electron Ionization Mass Spectrometry) and movies from QCEIMS trajectories
QMDFF - A general quantum mechanically derived force field
QMSIM - A molecular dynamics simulation program of nonperiodic and periodic systems
Reaction energies of Open-Shell Single-Reference Transition Metal Complexes (ROST61)
sTDA - A simplified Tamm-Dancoff density functional approach for electronic excitation spectra
Transition Metal Geometries (TMG145)
AZIDE
xtb - An extended tight-binding semi-empirical program package
Kirchner group
FOMD - Floating Orbital Molecular Dynamics
Movies from molecular dynamics simulations
Peacemaker - The Quantum Cluster Equilibrium Approach to Liquid Phase Properties
TRAVIS - Trajectory Analyzer and Visualizer
Bredow group
Consistent Gaussian basis sets for solid-state calculations
MSINDO download area
Neese group
ORCA (MPI für Kohlenforschung)
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