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Q51173424-3898A6EB-C1A0-464E-8B30-D23DFECF8296
Q51173424-3898A6EB-C1A0-464E-8B30-D23DFECF8296
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http://www.wikidata.org/entity/statement/Q51173424-3898A6EB-C1A0-464E-8B30-D23DFECF8296
Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding.
P2860
Q51173424-3898A6EB-C1A0-464E-8B30-D23DFECF8296
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Statement
http://www.wikidata.org/entity/statement/Q51173424-3898A6EB-C1A0-464E-8B30-D23DFECF8296
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6105b5f52633cc41ebb9bd21624b73f33049af4b
P2860
Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations