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 Function of building up molecules


You can easily build up 2D molecules in the Molecule Window of MolWorks by using a mouse. You can also build up reasonable 3D molecules using the clean-up function and can change the atomic symbol and the bond order.



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 Pre/Post functions for Quantum Chemistry Software


MolWorks prepares the interface for well-known quantum mechanics programs, like Gaussian, GAMESS, Q-Chem and MOPAC.



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 Functions for Properties Estimation


MolWorks has the capability to estimate the properties of the molecules based on "Group Contribution Method ( Joback method )" and "Principle of Corresponding States".



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 Chemical Engineering


Based on estimated properties of pure components, you can apply the PVT diagram of not only pure component but also mixtures. You can simulate any ratio of 2 pure components.



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