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dc.contributor.authorSwerts, Ben
dc.contributor.authorChibotaru, Liviu F.
dc.contributor.authorLindh, Roland
dc.contributor.authorSeijo Loché, Luis Ignacio 
dc.contributor.authorBarandiarán Piedra, Zoila 
dc.contributor.authorClima, Sergiu
dc.contributor.authorPierloot, Kristin
dc.contributor.authorHendrickx, Marc F.A.
dc.date.accessioned2014-02-17T17:41:32Z
dc.date.available2011-11-11
dc.date.issued2008
dc.identifier.citationJournal of Chemical Theory and Computation 4 (2008): 586-594
dc.identifier.issn1549-9618
dc.identifier.urihttp://hdl.handle.net/10486/7368
dc.format.mimetypeApplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.rightsReprinted with permission from (Swerts, B., Chibotaru, L.F., Lindh, R., Seijo, L., Barandiarán, Z., Clima, S., Pierloot, K. and M.F.A. Hendrickx."Embedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: implementation and applications." Journal of Chemical Theory and Computation 4 (2008): 586-594). Copyright 2008 American Chemical Society
dc.subjectQuímica cuántica
dc.titleEmbedding fragment ab initio model potentials in CASSCF/CASPT2 calculations of doped solids: implementation and applications
dc.typearticle
dc.type.reviewPeer reviewed
dc.relation.publisherversionhttp://dx.doi.org/10.1021/ct7003148
dc.identifier.doi10.1021/ct7003148
dc.rights.accessRightsopenAccessen
dc.authorUAMBarandiarán Piedra, Zoila (269553)
dc.authorUAMSeijo Loche, Luis Ignacio (261529)
dc.facultadUAMFacultad de Ciencias


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