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Ascalaph Quantum
Ascalaph Quantum
... mode is controlled by selecting the basis and method to account for electron correlation. Optimization: · ... the quantum mechanical module is included in the molecular mechanics package, electrostatic calculations are given particular attention. ...
Price: FREE / Open Source
advanced algorithms Properties Calculation Energy Mechanical Quantum Agile Molecule innovative features Ascalaph Quantum accurate simulations biomolecular modeling Geometry Optimization Energy Calculation software review user-friendly interface
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