You can easily produce even a complex molecule through a user-friendly and free 2D structural formula drawing tool & 3D graphic interface.
Diverse visualization options allow you to present key features of the structure and to deeply understand of its features.
GAMESS for DFT provides fully optimized various pre/post-processing modules.
You can instantly use optimal computing resources for your simulation without complicated processes.
Just start simulation and pay only as much as you used. We also have unlimited computing plan for students and heavy users.
You can visualize the molecular orbital of the molecule.
Analyze the calculation results, the molecule geometry obtained after optimization, charge information, and bond order.
You can get the vibrational frequency for the molecule. You can figure the IR, Raman spectrum, and animate the normal mode.
You can obtain the absorbance spectrum from the TDDFT calculation.
You can analyze the diffusion of atoms and molecules, the activation energy and transition state through an NEB calculation.
You can find the minimum energy reaction pathway around the transition state.
You can check the electronic states of the molecule.
Try to measure the strength of a particular chemical bond through the Bond Dissociation Energy calculation.
You can check the energy profile until convergence. Or, the energies of different calculations can be visually compared.
Pay only for using the cloud servers for your simulation.
Currently we also offer two discount options, unlimited computing subscription plan 'Unlimited Plan' and bundle package 'Atom Pack'.
Leave your email address, we will contact you ASAP!