AMPAC

AMPAC

AMPAC is a general-purpose semiempirical quantum chemistry program. It is marketed by Semichem, Inc. [ "Computational Chemistry", David Young, Wiley-Interscience, 2001. Appendix A. A.3.1 pg 341, AMPAC ] 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 ( [http://qcpe.chem.indiana.edu/ QCPE] ). Subsequent versions were released through the same source, representing minor updates and optimized versions for other platforms.

In 1992, [http://www.semichem.com 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 8.16.

AMPAC current implements the SAM1, AM1, MNDO, MNDO/d, PM3, MNDOC MINDO/3, RM1 and PM6 semiempirical methods. See [http://www.semichem.com/ampac/default.php this page] for a detailed description of AMPAC's current capabilities.

See also

* Quantum chemistry computer programs

References


Wikimedia Foundation. 2010.

Игры ⚽ Поможем написать курсовую

Look at other dictionaries:

  • AMPAC — American Medical Association Political Action Committee …   Medical dictionary

  • AMPAC — American Pacific Contributor: MSFC …   NASA Acronyms

  • AMPAC — • American Medical Association Political Action Committee …   Dictionary of medical acronyms & abbreviations

  • ESIEC — École supérieure d ingénieurs en emballage et conditionnement École supérieure d ingénieurs en emballage et conditionnement ESIEC Localisation Localisation Reims, France …   Wikipédia en Français

  • Esiec — École supérieure d ingénieurs en emballage et conditionnement École supérieure d ingénieurs en emballage et conditionnement ESIEC Localisation Localisation Reims, France …   Wikipédia en Français

  • École Supérieure d'Ingénieurs en Emballage et Conditionnement — ESIEC Localisation Localisation Reims, France …   Wikipédia en Français

  • École supérieure d'ingénieurs en emballage et conditionnement — ESIEC Localisation Localisation Reims, France …   Wikipédia en Français

  • AM1 — AM1, or Austin Model 1, 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. Specifically, it is a …   Wikipedia

  • Amir Butler — is an author and engineer, as well as the executive director of the Australian Muslim Public Affairs Committee (AMPAC), co convenor of the Australian Muslim Civil Rights Advocacy Network (AMCRAN) and frequent media commentator on social and… …   Wikipedia

  • MOPAC — In computational chemistry, MOPAC is a popular computer program designed to implement semi empirical quantum chemistry algorithms, such as MINDO, MNDO, AM1, PM3, PM5, [http://www.sparkle.pro.br Sparkle/AM1, Sparkle/PM3] and… …   Wikipedia

Share the article and excerpts

Direct link
… Do a right-click on the link above
and select “Copy Link”