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Journal articles/Book chapters

Posters The Electronic Structure of Singlet and Triplet Nitrenium Ions From MCSCF and DFT Calculations Predicting Regioselectivity in the Reduction of Polynitroaromatics in Aqueous Solution Substituent Effects on the Structure and Reactivity of Aromatic Nitrenes.

Software AMSOL is our program for calculating the properties of molecules in solution. You can find out more about AMSOL from the AMSOL Web site. OMNISOL is a free (but licensed) program for the rapid (non-quantum-mechanical) estimation of solvation free energies in water or organic solvents. For more information see the OMNISOL Web site. For other software plug-ins adding solvation modeling and other capabilities to various commercial electronic structure packages, see comp.chem.umn.edu.