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MOPAC is a popular computer program used in computational chemistry. It is designed to implement semi-empirical quantum chemistry algorithms, and it runs on Windows, Mac, and Linux.〔(【引用サイトリンク】 MOPAC )〕 MOPAC2012 is the current version. MOPAC2009 is able to perform calculations on small molecules and enzymes using PM6, PM3, AM1, MNDO, and RM1. The Sparkle model (for lanthanide chemistry) is also available. This program is available in Windows, Linux, and Macintosh. Academic users can use this program for free, whereas government and commercial users must purchase the software.〔(【引用サイトリンク】 url = http://www.cacheresearch.com/MOPACbrochure12.pdf )〕 MOPAC was largely written by Michael Dewar's research group at the University of Texas at Austin.〔''Computational Chemistry'', David Young, Wiley-Interscience, 2001. Appendix A. A.3.2 pg 342, MOPAC〕 Its name is derived from ''Molecular Orbital PACkage'', and it is also a pun on the Mopac Expressway that runs around Austin.〔(【引用サイトリンク】 General Description of MOPAC )〕 MOPAC2007 included the new Sparkle/AM1, Sparkle/PM3, RM1 and PM6 models, with an increased emphasis on solid state capabilities. However, it does not have yet MINDO/3, PM5, analytical derivatives, the Tomasi solvation model and intersystem crossing. MOPAC2007 was followed by the release of MOPAC2009 in 2008 which presents many improved features 〔()〕 The latest versions are no longer public domain software as were the earlier versions such as MOPAC6 and MOPAC7. However, there are recent efforts to keep MOPAC7 working as open source software. An open source version of MOPAC7 for Linux is also available.〔(MOPAC7 Open Source Version )〕 The author of MOPAC, James Stewart, released in 2006 a public domain version of MOPAC7 entirely written in Fortran 90 called MOPAC7.1. ==See also== *Semi-empirical quantum chemistry methods *AMPAC *Quantum chemistry computer programs 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「MOPAC」の詳細全文を読む スポンサード リンク
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