Ascalaph Quantum 1.7.12 freeware

The Ascalaph Quantum package provides interfaces to ab initio quantum mechanical packages NWChem, CP2K and PC GAMESS / Firefly. Quantum calculations are performed using the PC GAMESS program. ...

Author Agile Molecule
Released 2014-01-12
Filesize 86.80 MB
Downloads 573
OS Windows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64
Installation Instal And Uninstall
Keywords Energy Calculation, Geometry Optimization, Properties Calculation, Quantum, Mechanical, Energy
Users' rating
(5 rating)
Ascalaph QuantumCADWindows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64
Ascalaph Quantum - bonds Freeware Download Notice

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Ascalaph Quantum freeware - The Latest User Reviews
Ascalaph Quantum freeware - The Latest Versions History
1.7.12 Jun 17, 2011 New Release

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... be no considerable overlapping of valance-unbound atoms. The bonds should be of realistic length. Properties calculations: · Since of the quantum mechanical module is ...