WebMO
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
Category : Education
Reviews (29)
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.
Good for symmetry, crashes anytime i try to calculate vibrations. Works for the simplest molecules, but crashes immediately for something like SF6
The app is good but it crashes when I tap on some of the elements in the periodic table.
Still needs some improvements, Correction and interface.
Amazing, very much worth the 5 euros for the premium version
Very fast, clean, simple and useful
it's so nice to have this app it's help me to improve my knowledge about chemistry
Uh you didnt let me import now. It was fun while it lasted.
It's good to begin learning MM and CI
Update, I figured out the delete.
Fantastic App. Unlike some of the other apps out there for this purpose, it gives you access to the full periodic table. The utilities are great, and I'd definitely recommend the full version.
This is so fun for a little, and I am also making molecule parodies.
This is awesome. Buying the full version asap. One feature I'd love is ability to rotate molecule for a few seconds and export as a gif. Doable?
Awesome and intuitive
Ive buy the upgrade version because it is very simple and well done, except for the fact that there are no orbital nor potential sets for heavy elements, and this is really disappointing. Please integrate them soon because I work primarily on heavy, non-common and radioactive elements. Thank you.
This app is very helpful when learning how MOs work. The paid version is well worth it!
Pro-version is well worth it.
Iupac and physics form of nomanclature...real good
It's great. Enough said.
Its very much excellent app for those who try to visualise things in Chemistry (we can use it in other subjects as well like I use it to make complicated resistances in physics or a cube or pyramid in physical chemistry solid state for 3D visualisation) . I m using it from about three months ago and it really proved to be useful to me☺
Outstanding! Free version is so good, definitively I'll be using this app for teaching MO,, introductory level. This app WILL be my first purchase ever... Pro version -without the 9 atoms restriction- it's so good for the price. I almost can't believe it!
It used to be great but with these limitations it loses all
This is the most useful chem apps I were searching for a long time
Could we use this for DFT based simulations? Like if I design a CNT based conductor and use this design in espresso or comsol
Good and nice app
Powerful but easy to use. Excellent for students of chemistry, my professors loved it too
I love this app
I just wish the free version allow calculation of 10 atoms (not including H) instead of just 10 atoms including H.
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.