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Quantum chemistry and solid state physics software package
Semiempirical Extended Tight-Binding Program Package
CREST - A program for the automated exploration of low-energy molecular chemical space.
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Orbital transfer and automatic multi-reference calculation for quantum chemistry
Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration
Electronegativity equilibration model for atomic partial charges