AMPAC
Encyclopedia
AMPAC is a general-purpose semiempirical quantum chemistry
program. It is marketed by Semichem, Inc. and was developed originally by Michael Dewar and his group.
The first version of AMPAC (2.1) was made available in 1985 through the Quantum Chemistry Program Exchange (QCPE). Subsequent versions were released through the same source, representing minor updates and optimized versions for other platforms.
In 1992, Semichem, Inc. was formed at Professor Dewar's urging to maintain and market the program. AMPAC 4.0 with Graphical User Interface was released in August of that year. Semichem's current version of AMPAC is 9.2.
AMPAC current implements the SAM1
, AM1, MNDO
, MNDO/d
, PM3
, MNDO
C MINDO/3
, RM1 and PM6 semi-empirical methods. See this page for a detailed description of AMPAC's current capabilities.
Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems...
program. It is marketed by Semichem, Inc. and was developed originally by Michael Dewar and his group.
The first version of AMPAC (2.1) was made available in 1985 through the Quantum Chemistry Program Exchange (QCPE). Subsequent versions were released through the same source, representing minor updates and optimized versions for other platforms.
In 1992, Semichem, Inc. was formed at Professor Dewar's urging to maintain and market the program. AMPAC 4.0 with Graphical User Interface was released in August of that year. Semichem's current version of AMPAC is 9.2.
AMPAC current implements the SAM1
SAM1
SAM1, or "Semiempirical ab initio Model 1", is a semiempirical quantum chemistry method for computing molecular properties. It is an implementation the general Neglect of Differential Diatomic Overlap integral approximation, and is efficient and accurate. Related methods are AM1, PM3 and the older...
, AM1, MNDO
MNDO
MNDO, or Modified Neglect of Differential Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. Similarly, this method replaced the earlier...
, MNDO/d
MNDO
MNDO, or Modified Neglect of Differential Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. Similarly, this method replaced the earlier...
, PM3
PM3 (chemistry)
PM3, or Parameterized Model number 3, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation....
, MNDO
MNDO
MNDO, or Modified Neglect of Differential Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. Similarly, this method replaced the earlier...
C MINDO/3
MINDO
MINDO, or Modified Intermediate Neglect of Differential Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Intermediate Neglect of Differential Overlap method of John Pople. It was developed by the group...
, RM1 and PM6 semi-empirical methods. See this page for a detailed description of AMPAC's current capabilities.