Disclaimer
Important notices about the scientific use of results from this website and the limits of responsibility for how they are applied.
Results from this calculator are computational estimates produced by approximate models. They are provided for research and educational purposes and must be independently verified before being relied on for any decision.
Scientific use
The calculator reports molecular orbital energies from the method you select, currently variants of Extended Hückel theory. These are model quantities whose values depend on the method, basis set, geometry and other settings described on the Methodology page. They are not measured values and are not equal to experimental electron affinities, reduction potentials or absorption energies.
No guarantee of accuracy
No guarantee is made that any result is accurate, complete or fit for a particular purpose. Software errors, unsupported structures, unusual geometries or numerical issues can produce incorrect values. The calculation runs in your browser, so browser bugs or limited device resources can also affect it.
Interpreting results
Compare values only with those obtained in the same way, and treat single values with caution. The Accuracy and Limitations page explains how to read results responsibly.
Appropriate use
Results should not be used as the sole basis for safety, medical, pharmaceutical, regulatory, environmental, manufacturing or financial decisions. Nothing on this website is professional advice. Where a decision matters, confirm results with established software, higher-level methods and, where possible, experiment.
Educational content
Guides are written to be accurate and are referenced, but may contain errors or simplifications. Example values in the guides were produced with this website's calculator and carry the same limitations as any other result. Corrections are welcome through the contact page.
External links
Links and references to other websites and publications are provided for further reading. Their content is the responsibility of their owners.
Contact
Questions about this disclaimer can be sent through the contact page.