WebMO Molecule Editor 4+

WebMO, LLC

iPad용으로 디자인됨

    • 4.0 • 38개의 평가
    • 무료
    • 앱 내 구입 제공

스크린샷

설명

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 molecular vibrations
- 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, SDBS)
- 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 14 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

새로운 기능

버전 2.2.2

* iOS 18 compatibility fixes

평가 및 리뷰

4.0/5
38개의 평가

38개의 평가

Bramble Head ,

Great for students!

As a student I am constantly referring back to this app to help give myself an idea of a particular molecules reactive sites, it’s also really great to understand the planes that molecules are in!

Tux Kenobi ,

Could be great if it didn't crash

It could be a great teaching app but keeps crashing constantly. I've installed it on my iPhone 8 with iOS 13.2 and also on my iPad mini gen 1 iOS 9.3.6, happens in both.
I truly hope it is fixed on next releases, only then I'll pay for it. Until then I'll keep using iSpartan for my classes does similar things but requires internet connection and does not offers free servers for submitting calculations.

Euler Wiles ,

Rich functionality, intuitive interface

Nice array of functionality with an intuitive interface. There is a decent variety of information that you can obtain about a molecule; Pm6 calculation results can be generated.

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