MINDO3 — The MINDO3 Hamiltonian will be used.
MINDO3
The MINDO3 method will be used for calculation.
See Table 3.1, “MINDO3 Atom Pair Parameters” for a list of atom pairs that have parameters for MINDO3. In previous versions of AMPAC when COSMO was used in conjuction with MINDO3, the wrong set of parameters was used in the calcuation. This error is generally small and only affectted the COSMO portion of the calculation and has been correct in AMPAC 9. Use the OLDCMMINDO keyword for backward compatability with older versions.
Copyright © 1992-2013 Semichem, Inc. All rights reserved. |