DukeMobile vs WebMO Molecule Editor

DukeMobile gives you access to the latest information about Duke University, wherever you are! Explore Duke’s campus, find dining locations and hours, learn about upcoming events and featured news, and more – all within one convenient app. Students, faculty, and staff can login to DukeMobile for quick access to DukeHub, Duke@Work, and many other campus services. Features include: • A modern and customizable layout with quick access to your most-needed services – as well as Duke events, news, and campus busyness data • A robust Search feature to find events and features fast • Interactive Campus Map with real-time bus routes, building information, and easy navigation to parking, dining, and more • Calendar integration for events • Your personal account info (when logged in), where you can find your Unique ID, Flex and Food Points, and a Message Center for your alerts from integrated services, such as DukeHub • Look up Duke faculty, staff and students; store contacts with a few taps; and connect via your email or phone • Purchase a daily parking pass and pull up existing passes with the click of a button • See location and status of all printing stations on the on the campus-wide print network. • Quick access to important details and contacts for campus Safety, Transportation, and Wellness

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