WebMO

WebMO, LLC

In-app purchases

About this app

WebMO allows users to build and view molecules in 3-D, visualize orbitals and symmetry elements, lookup chemical information and properties from external databases, and access state-of-the-art computational chemistry programs.

WebMO is recommended for students and faculty in high school, college, and graduate school who desire mobile access to molecular structures, information, and calculations.

WebMO capabilities include:
- Build molecules by drawing atoms and bonds in a 3-D molecular editor, or by speaking the name (e.g., “aspirin”)
- Optimize structures using VSEPR theory or molecular mechanics
- View Huckel molecular orbitals, electron density, and electrostatic potential
- View point group and symmetry elements of molecules
- Lookup basic molecular information, including IUPAC and common names, stoichiometry, molar mass
- Lookup chemical data from PubChem and ChemSpider
- Lookup experimental and predicted molecular properties from external databases (NIST, Sigma-Aldrich)
- Lookup IR, UV-VIS, NMR, and mass spectra from external databases (NIST, NMRShiftDB)
- Capture high-resolution molecular images
- Save and recall molecular structures locally
- Export and import structures via email

WebMO is also a front-end to WebMO servers (version 16 and higher):
- Supports Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker computational chemistry programs
- Submit, monitor, and view calculations
- View formatted tabular data extracted from output files, as well as raw output
- Visualize geometry, partial charges, dipole moment, normal vibrational modes, molecular orbitals, and NMR/IR/UV-VIS spectra

Ratings and reviews

I almost never write reviews, but I purchased the full version within a minute of using the free version. This app is incredible, allowing the user to determine the electrostatic potential and electron density for constructed molecules. These features are available for a molecule containing 9 or more atoms for the premium edition, which costs 4.99. Also, the periodic table is available for picking atoms in the construction.

Whole the UI is good, and the structure mechanics are okay, the auto-geometry cleanup does not accurately show the molecular geometry of even simple molecules. I attempted to draw a molecule know as mustard gas, or sulphur mustard, which is a toxic gas used in WW1, but the structure was not displayed accurately (Both Cl atoms are meant to occupy the same level/plane in the molecule, but that didn't happen). What I mean to say, is both sides of the molecule should be mirror images, not different.

Absolutely love this app. Just a small feedback on the job submission. Not sure if it is a bug, but I used to be able to choose the computational engine I would like to run the job on, but now it's restricted to use Mopac. If the option to choose the computational engine is restored it'll be really great!

What's new

* Updated Android compatibility
* WebMO 24 compatibility