Mobile Molecular Modeling -Mo3 descripción

Mo-cubed: Mobile Molecular Modeling

Mo-cubed is perhaps the most comprehensive mobile solution for chemical information to date! It can be used by teachers and students as an educational tool to chemistry courses at all levels as well by scientists to search for chemical information available at public databases or to compute physical/chemical properties of interests using quantum chemistry in the cloud.

Features:

1. Build Molecular Structure in 3D: A slick 3D molecular builder enables users to build/edit molecule similar to that of balls & sticks chemistry toolkits. Alternatively, users can draw molecules in 2D and then convert it into 3D for further editing or requesting tasks.

2. Search Chemical Information on public databases: Currently it enables users to search Pubchem database.

3. Predict IR, 1H-NMR, 13C-NMR, and Mass spectra.

4. Compute/Predict structure and chemical properties by quantum chemistry: Users can request search for a stable structure and compute its chemical properties using quantum chemistry method (currently it uses a semi-empirical molecular orbital method from the MOPAC2012 program).

5. Analyze chemical info in 3D: View Molecular orbitals, Electrostatic potential surface in 3D. Analyze structure and other calculated properties such as bond orders, atomic partial charge, atom valency.

6. Store data on your Android phone and/or share it to friends/collaborators.

You can also use the Screenmeet app to show how the app works to your students and friends by display your phone screen to your laptop which can be connected to a projector.

Download, Enjoy and Tell your friends about Mo-cubed.