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QM/MM energy decomposition using the interacting quantum atoms approach

dc.contributor.authorLópez, Roberto
dc.contributor.authorDíaz Fernández, Natalia 
dc.contributor.authorFrancisco Miguélez, Evelio 
dc.contributor.authorMartín Pendás, Ángel 
dc.contributor.authorSuárez Rodríguez, Dimas 
dc.date.accessioned2022-10-25T11:10:08Z
dc.date.available2022-10-25T11:10:08Z
dc.date.issued2022
dc.identifier.citationJournal of Chemical Information and Modeling, 62(6), p. 1510-1524 (2022); doi:10.1021/acs.jcim.1c01372
dc.identifier.issn1549-9596
dc.identifier.urihttp://hdl.handle.net/10651/65088
dc.description.sponsorshipThe authors thank FICyT (grant FC-GRUPIN-IDI/2018/000177) and MICINN (grant PGC2018-095953-B-I00) for financial support.
dc.format.extentp. 1510-1524
dc.language.isoeng
dc.relation.ispartofJournal of chemical information and modeling
dc.rights© 2022 The Authors. Published by American Chemical Society
dc.rightsCC Reconocimiento 4.0 Internacional
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.sourceScopus
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85125947880&doi=10.1021%2facs.jcim.1c01372&partnerID=40&md5=e720326e513c84979145518076f068f2
dc.titleQM/MM energy decomposition using the interacting quantum atoms approach
dc.typejournal article
dc.identifier.doi10.1021/acs.jcim.1c01372
dc.local.notesOA ATUO21
dc.relation.projectIDFC-GRUPIN-IDI/2018/000177
dc.relation.projectIDMICINN/PGC2018-095953-B-I00
dc.relation.publisherversionhttp://dx.doi.org/10.1021/acs.jcim.1c01372
dc.rights.accessRightsopen access
dc.type.hasVersionVoR


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© 2022 The Authors. Published by American Chemical Society
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