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.

 Pre/Post functions for Quantum Chemistry Software

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

 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".

 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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