價格：免費
更新日期：2018-12-16
檔案大小：19.8 MB
目前版本：1.8.6
版本需求：需要 iOS 7.1 或以上版本。與 iPhone、iPad 及 iPod touch 相容。
支援語言：丹麥文, 俄文, 加泰羅尼亞文, 匈牙利文, 印尼文, 土耳其文, 巴克摩文挪威文, 希伯來文, 希臘文, 德語, 捷克文, 斯洛伐克文, 日語, 法文, 波蘭文, 瑞典文, 簡體中文, 繁體中文, 羅馬尼亞文, 義大利文, 芬蘭文, 英語, 荷蘭文, 葡萄牙文, 西班牙文, 越南文, 阿拉伯文, 韓語, 泰文, 馬來文
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
支援平台：iPhone, iPad