WebMO Molecule Editor 4+

WebMO, LLC

Diseñada para iPad

    • 5.0 • 1 calificación
    • Gratis
    • Ofrece compras dentro de la app

Capturas de pantalla

Descripción

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

Novedades

Versión 2.0.2

* Updates to molecule import by name

Calificaciones y reseñas

5.0 de 5
1 calificación

1 calificación

Privacidad de la app

El desarrollador (WebMO, LLC) indicó que, entre las prácticas de privacidad de la app, pueden incluirse el manejo de datos que se describe a continuación. Para obtener detalles, consulta la política de privacidad del desarrollador.

No se recopilan datos

El desarrollador no recopila ningún dato en esta app.

Las prácticas de privacidad pueden variar; por ejemplo, según tu edad o las funciones que uses. Obtén detalles

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