WebMO

In-app purchases
4.5
316 reviews
10K+
Downloads
Content rating
Everyone
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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
Updated on
Oct 12, 2021

Data safety

Safety starts with understanding how developers collect and share your data. Data privacy and security practices may vary based on your use, region, and age. The developer provided this information and may update it over time.
No data shared with third parties
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No data collected
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4.5
316 reviews
A Google user
September 27, 2018
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.
16 people found this review helpful
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A Google user
March 31, 2019
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!
11 people found this review helpful
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A Google user
December 3, 2018
Cool app for visualizing MO's for undergrads, but, unfortunately, quite a lot of stuff has to be taken with caution: there're quite a few effects this app predicts quite poorly even for the simplest molecules: -VSEPR is applied in quite a few cases where it should be much less noticeable, like PH3, H2S and so forth, giving wrong angles and therefore wrong MO's; -Bond lengths for heavier atoms are also too short for some reason, trying to adjust them to the real numbers in turn results in very poor interaction of AO; -H2S has its positive charge on ithe sulfur, according to this app; -For an app, trying to apply MO method to construct the visual representation of molecules, it relies too heavily on valency, charge and so forth, poorly taking conjugation into account (at least with charged particles where charge is delocalized); -Switching between allyl cation and anion does not change the overall number of electrons! And, of course, the app thinks the molecule is not as symmetric as it really is (Cs vs C2v), but that's really closer to the previous point. Considering other apps get a few of these things right, I hope it'll be implemented here as well.
29 people found this review helpful
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What's new

Resolves a bug with importing structures by name.