2016-05-19 12:53:05 +02:00
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Ghemical is a computational chemistry software package,
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2003-05-04 04:33:52 +02:00
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2014-12-16 23:10:23 +01:00
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Ghemical relies on external code to provide the quantum-mechanical
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calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
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from the MOPAC7 package, and are included in the source distribution.
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The MPQC package (GNU GPL) is used to provide ab initio methods.
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2003-05-04 04:33:52 +02:00
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2018-07-18 07:31:21 +02:00
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WWW: https://www.bioinformatics.org/ghemical/ghemical/index.html
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