WebMO App Features
The WebMO App installs on iOS or Android mobile devices and allows users to build and view molecules in 3-D, visualize orbitals and symmetry elements, look up chemical information and properties from external databases, and view/submit WebMO jobs.
WebMO App Features
- Build molecules in 3-D
- Import chemical structures
- Calculate molecular orbitals, symmetry elements, vibrational modes
- Look up molecular data from external databases
- Can submit jobs to a WebMO server and view results
- Runs on all smart phones and tablets running Apple iOS or Android
Build or Import Molecules
The WebMO App has a 3-D molecular editor similar to the web-based editor. Tap to insert atoms. Drag to create bonds. Use the periodic table to change atoms. Clean up structure using either idealized geometries or molecular mechanics.
Complex molecules can be inserted via the "Lookup and Import" feature.
Calculate Molecular Orbitals, Symmetry Elements, Vibrational Modes
Huckel molecular orbitals calculations are built in.
Symmetry elements are identified and displayed.
Vibrational frequencies are calculated and normal modes are animated.
Look Up Molecular Data from External Databases
Standard molecular data (stoichiometry, IUPAC name, common names, molar mass) is displayed for the current structure.
The WebMO App can also search external databases and display:
- physical properties
- literature references
- thermodynamic data
- chemical reactivity
- NMR, IR, UV-VIS, MS spectra
- safety information
Submit Jobs to WebMO Server and View Results
The app has the above capabilities without connecting to a WebMO server.
Jobs can also be submitted from the app to a WebMO server. The App comes preconfigured to submit jobs to MOPAC hosted on the WebMO Demo Server.
Jobs can be monitored and results viewed from the app, just like from a web browser on a laptop or desktop.