Utchem Software Online
Are you just learning NWChem and would like to have an easy way to generate input decks, check your output decks against a large database of calculations, perform simple thermochemistry calculations, calculate the NMR and IR spectra of a modest size molecule, or just try out NWChem before installing it? EMSL Arrows scientific service can help.
A Web API to EMSL Arrows is now available for Alpha testing.For more information see andNWChem CitationPlease cite the following reference when publishing results obtained with NWChem:M. Kowalski, T.P. Straatsma, H.J.J. Nieplocha, E. De Jong,'NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations'.