ODYSSEY Electron Sharing 对比 WebMO Premium 的使用情况和统计数据
What would molecules look like if we could dive in and inspect them on the atomic scale? Would they look anything like the structural drawings in textbooks? Would they resemble the three-dimensional Ball&Stick models from plastic model kits and computer-based visualizers?
ODYSSEY Electron Sharing presents molecular models where ad hoc “bonds” are deliberately not shown. In fact, the visualization includes nothing but the nuclei and the electron cloud, with the latter represented as a series of isosurfaces of the electron density. As the underlying data have been obtained from rigorous first principles calculations, the models provide an unbiased, “raw” view of a number of common substances.
Models are included for a single water molecule, an interacting pair of water molecules, and a corresponding droplet-like cluster. Multiple electron density surfaces are also provided for an assortment of 30 molecules, ions, and bulk samples. Intuitive gestures allow for inspection of all models at any orientation and zoom level. Statements regarding the presence or absence of bonds can be made quantitative by measuring distances and angles. A glossary, comments section, and a set of multiple-choice questions (with randomized options) are also available.
Complementing the presentation of covalent bonding in any chemistry textbook, ODYSSEY Electron Sharing adds a perspective of molecular chemistry that is rarely, if ever seen.
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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
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ODYSSEY Electron Sharing VS. 
WebMO Premium一月 3, 2025