- AMSOL (semiempirical quantum chemistry program)
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AMSOL available from the University of Minnesota is an SCF program with unique capabilities for calculating free energies of solvation of molecules and ions in solution and for calculating class IV partial atomic charges. The solvation models and charge models are based on NDDO semiempirical molecular orbital theory in which the terms required to calculate the free energy of solvation are included in the solute Hamiltonian. AMSOL employs either the AM1, PM3, or MNDO model for the solute electronic Hamiltonian. The web supplies recent revision history, program description, abstract and manual as well as links to related websites.
contact
James W Hildebrand
Assistant Director Univ Wide
Patents/Technology Marketing
Patents and Technology Mktg
450 McNamara Center
200 Oak Street SE
Minneapolis, MN 55455Office Phone: +1 612-624-9568
Fax: +1 612-624-6554
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