WebMO Molecule Editor vs. DukeMobile Utilizzo e statistiche
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
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DukeMobile gives you access to the latest information about Duke University wherever you are.
Use the DukeMobile suite of apps to find people at Duke, find your way across campus and to keep tabs on sports scores.
Features:
· Directory — Look up Duke faculty, staff and students, store contacts with a few taps, and use the e-mail or phone capabilities of your device to connect
· Places — Find the current operating hours of your favorite dining venue, ePrint sites, the Link, DukeCard offices, Duke Gardens and other locations
· Maps — Search for Duke buildings by name, pinpoint them on the map and see your relative location, and zoom or pan across the map using the multi-touch interface
· Giving to Duke - safe, secure and simple one click donations to Duke using Apple Pay
· Emergency Alert Information — Be aware of any emergencies on campus, and get one-click access to Duke Police, the Occupational & Environmental Safety Office and other emergency contacts.
· Events — Check out listings from Events@Duke
· Athletics — Pick up Duke sports news, schedules and up-to-the-minute scores
· DukeHub — Access for students, faculty and staff into Duke's courses and class schedules.
· Transportation — Look up bus routes, schedules and track buses in real time. Request a Duke Van.
· ePrint — See location and status of all printing stations on the on the campus-wide print network.
· Sakai — Access course sites for class tools, assignments, discussions and quizzes
· Dining — Find out what's open on campus near your present location. This student-created application will allow you to filter by location, time and food preference. See maps and get directions to your destination.
· Research Admin — Access administrative tools supporting research activity
· Scholars@Duke — See public web profiles for all Duke faculty.
· First Year Checklist - keep track of your to-do list for incoming students
· Duke Flyer - scroll through the live feed of Duke Flyers on campus
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WebMO Molecule Editor VS. 
DukeMobile19icembre d, 2024