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A massively multicore parallelization of the Kohn-Sham energy gradients.
Brown, Philip; Woods, Christopher J; McIntosh-Smith, Simon; Manby, Frederick R.
Affiliation
  • Brown P; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom.
J Comput Chem ; 31(10): 2008-13, 2010 Jul 30.
Article in En | MEDLINE | ID: mdl-20127716
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2010 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2010 Document type: Article Affiliation country: Country of publication: