Atom in a Box vs WebMO Premium

Atom in a Box is an aid for visualizing the Hydrogenic atomic orbitals, the three-dimensional states that the electron occupies in Hydrogen, a prime and otherwise unwieldy example of Quantum Mechanics. It interactively shows what the Hydrogen atom "looks" like. Unique among visualizations of Quantum Mechanics, it uses highly optimized code to perform 3D volumetric raytracing through the electron wavefunction's probability density and presents its results in real-time. It animates and mathematically describes all 140 eigenstates up to the n=7 energy level. The app links to an online FAQ, and the atom rotates with multitouch and the accelerometer. The bottom line is: Explore! The user are meant to explore all aspects of the atom, what it is and what it can do.

WebMO Premium is equivalent in functionality to the free 'WebMO' app in conjunction with the 'WebMO Premium' in-app purchase. This paid version is provided for convienence for volume purchases. 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