AMP AC program

Tl le popularity of the MNDO, AMI and PM3 methods is due in large part to their implementation i n the MOPAC and AMP AC programs. The programs are able to perform many kinds of calculation and to calculate many different properties. 

QCPE (1986) Quantum Chemistry Program Exchange, AMP AC, Program No. 506, Department of Chemistry, Indiana University, Bloomington, IN. 

Three popular semiempirical programs, AMP AC, AMSOL, and MOPAC, are actually derivations of the same original code. AMP AC 1.0 and MOPAC 3.0 were both created from Version 2.0 of MOPAC. AMSOL was derived from... 

Molden (we tested Version 3.6) is a molecular display program. It can display molecular geometries read from a number of molecular file formats. Various views of the wave function can be displayed from the output of the Gaussian and GAMESS programs. Some functionality is available from MOP AC and AMP AC files. Conversion programs are available to import wave functions from ADF, MOLPRO, ACES II, MOLCAS, DALTON, Jaguar, and HONDO. 

AMP AC is a semiempirical suite of programs. It can be leased from Semichem, Inc., http // www.semichem.com/default.php, 12456 W, 62nd Terrace, Suite D, Shawnee, KS 66216, USA. As of mid-2009, the latest version of AMP AC was AMPAC 9. The name means Austin method package cf. AMI... 

AMP AC Austin method package cf. AMI. Marketed by Semichem Inc. http //www.semichem.com/default.php A semiempirical suite of programs. See Chapter 6. 

Theoretical Linear Solvation Energy Relationship (TLSER) With the LSER descriptors of Kamlet and Taft in mind, Famini and Wilson developed QM-derived parameters to model terms in Eq. [18] and dubbed these the TLSER descriptors. Descriptor calculations are done with the MNDO Hamiltonian in MOPAC and AMP AC. MNDO has greater systematic errors than do AMI and PM3, but the errors tend to cancel out better in MNDO-derived correlation equations. A program called MADCAP was developed to facilitate descriptor calculation from MOPAC output files. 

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