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ADF - molecular modeling suite

dc.date.accessioned2015-10-21T22:51:21Z
dc.date.available2015-10-21T22:51:21Z
dc.identifier.urihttp://hdl.handle.net/11256/446
dc.descriptionhttp://www.scm.com/Doc/Doc2014/
dc.description.abstractModel molecules, surfaces and bulk with fast & accurate DFT or semi-empirical (MOPAC, DFTB) methods and study the reactivity in large, complex systems (ReaxFF) with the ADF modeling suite. A single integrated GUI ensures facile set up and analysis of electronic and atomistic simulations across the range of methods and sizes.
dc.languageEng
dc.publisherSCM - Scientific Computing & Modelling
dc.relation.hasversionadf2014.08
dc.rightsCopyright SCM
dc.subjectmodeling
dc.subjectactinides
dc.subjectpetrochemistry
dc.subjectnanomaterials
dc.subjectorganic electronics
dc.subjectphotovoltaics
dc.subjectspectroscopic properties
dc.subject.othermaterials science
dc.titleADF - molecular modeling suite
dc.typeDFT
dcterms.creatorScientific Computing & Modelling
dcterms.licensehttp://www.scm.com/Sales/licenseoptions.html
cc.accessURLhttp://www.scm.com/Downloads/2014
cc.contact[email protected], http://www.scm.com/Contact/SCM.html
cc.cost$
cc.distributiondownload
cc.landingPageURLhttp://www.scm.com/
cc.MethodAlgorithmMOPAC
cc.MethodAlgorithmDFTB
cc.opSystemNameMac OS X 10.6+ (x86, 64-bit)
cc.opSystemName64-bit Windows
cc.opSystemNameLinux (x86-64, 64-bit)
cc.versionDate2014


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    A list of computational resources relevant to computational efforts in the MGI.

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