WebMO Premium 2.2.2

WebMO Premium serves as an enhanced version of the free 'WebMO' application, encompassing all its functionalities alongside additional features through an in-app purchase aimed at facilitating bulk transactions.

Designed for both academic and professional use, WebMO enables users to construct and visualize 3-D molecular structures, while also offering insights into orbitals and symmetry elements. The platform provides access to chemical data and properties from various external databases, as well as robust computational chemistry programs.

This application is particularly well-suited for high school, college, and graduate students as well as faculty members seeking mobile access to molecular models and computational resources.

Key functionalities of WebMO include:

• The ability to build molecules by either manually drawing atoms and bonds in a 3-D editor or by using voice commands (e.g., “aspirin”).
• Structure optimization through VSEPR theory or molecular mechanics techniques.
• Visualization of Huckel molecular orbitals, electron density, and electrostatic potential.
• Examination of molecular vibrations.
• Access to point group information and symmetry attributes of molecules.
• Lookup of fundamental molecular data such as IUPAC names, common names, stoichiometry, and molar mass.
• Integration with chemical databases like PubChem and ChemSpider for data retrieval.
• Access to experimental and predicted molecular properties from renowned sources (NIST, Sigma-Aldrich).
• Lookup of IR, UV-VIS, NMR, and mass spectra from external databases (NIST, SDBS).
• Capability to capture high-resolution images of molecular structures.
• Functionality to save and retrieve molecular structures locally.
• Options to export and import structures via email.

Additionally, WebMO acts as a front-end interface for WebMO servers (version 14 and higher), providing:

• Support for various computational chemistry programs including Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker.
• The ability to submit calculations, monitor their progress, and review results comprehensively.
• Access to formatted tabular data extracted from output files alongside raw output data.
• Visualization capabilities for geometry analysis, partial charges evaluation, dipole moments assessment, normal vibrational modes representation, as well as NMR/IR/UV-VIS spectral data analysis.