WebMO Molecule Editor vs PASCO Chemvue

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

Chemvue supports data collection for up to six distinct sensors simultaneously. Run statistics on the entire data set (or a select portion), choose from 10 curve fitting functions (plot the curve and view its formula), and show error bars based on sensor specifications or statistics from multiple trials. Chemvue’s sleek interface allows students to easily collect and produce necessary elements for standard chemistry lab reports, yet is sophisticated enough for college chemistry labs. For more complex chemistry analysis, data can be easily exported in multiple file formats to additional software for further analysis. About Chemvue: Chemvue has three methods of data input: 1. Real-time measurements from sensors 2. User-entered data 3. Calculations on column data including slope, best fit, area under the curve, and frequency of events in a given selection Features - Auto-Configuration for easy page setup - Calibration to ensure sensor accuracy - Calculator with functionality for high-level chemistry - Number Formatter to choose significant figures, fixed decimal places, and scientific notation - Sampling options from a wide range of intervals for data point collection to fit your experimental - needs - Export options support the sharing of CSV data and PNG images - Toggle between dark and light mode for easy viewing - Software defaults to large data display upon sensor pairing for immediate real-time data - monitoring - Four different standard displays available: live data reading, data table, graph, and a graph and data table split page for lab report exports. - Saves data digitally in tables as defined by user during collection set up - Table view allows collecting data systematically on timed basis of users choosing - User can define conditions of when to collect data alongside entered values - User can calculate new columns of data using any columns of collected data - Pairs with up to 6 wireless chemical sensors wirelessly dependably (additional wired sensors can be connected depending on your interface) - User-determined rates of collection - Connected sensors can run independently of each other or can be synchronized to share equal collection rates - Graph collected sensor data, user-entered data, or machine-calculated data - Show error bars based on the reported specifications of each probe, or allow the user to calculate a cross-run average based on your data set What Students Can Do: - Measure ion concentrations in solution - Determine reaction kinetics by color changes - Monitor gas pressure concurrently with volume or temperature changes - Log solution volumes to find acid-base strengths - Determine solution potentials from their electric potentials - Track battery capacity following current levels - Investigate nuclear probabilities measuring rates of decay from unstable isotopes - Run titrations with multiple sensors to determine accurate concentrations Free Trial and Purchase: - There is no free trial period for Chemvue. - Chemvue requires a purchase of a one-year license which will grant full access to all features of Chemvue.