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Microsolvation of small cations and anions

dc.creatorHadad C.spa
dc.creatorFlorez E.spa
dc.creatorAcelas N.spa
dc.creatorMerino G.spa
dc.creatorRestrepo A.spa
dc.date.accessioned2018-10-31T13:44:21Z
dc.date.available2018-10-31T13:44:21Z
dc.date.created2018
dc.identifier.issn207608
dc.identifier.urihttp://hdl.handle.net/11407/4881
dc.descriptionRecent advances in the theoretical treatment of microsolvation of small ions, a problem with practical implications in chemistry, physics, and biology, are exposed. In particular, we discuss sound stochastic approaches to sample complex energy landscapes and delve into the nature of bonding interactions that dictate both structural and energetical preferences. An in-depth analysis of the effect of formal charges in the surrounding network of solvent to solvent hydrogen bonds is also presented. The problem, as expected, is more complicated than simple definitions may forecast. © 2018 Wiley Periodicals, Inc.spa
dc.language.isoeng
dc.publisherJohn Wiley and Sons Inc.spa
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85050505278&doi=10.1002%2fqua.25766&partnerID=40&md5=6aad9320cd2aa4476b44d7f080c2ca8dspa
dc.sourceScopusspa
dc.subjectHydrogen bondsspa
dc.subjectMicrosolvationspa
dc.subjectNature of bondingspa
dc.subjectSmall cations and anionsspa
dc.subjectStochastic optimizationspa
dc.subjectWeak interactionsspa
dc.subjectOptimizationspa
dc.subjectPositive ionsspa
dc.subjectBonding interactionsspa
dc.subjectComplex energy landscapesspa
dc.subjectIn-depth analysisspa
dc.subjectMicrosolvationspa
dc.subjectStochastic approachspa
dc.subjectStochastic optimizationsspa
dc.subjectTheoretical treatmentsspa
dc.subjectWeak interactionsspa
dc.subjectHydrogen bondsspa
dc.titleMicrosolvation of small cations and anionsspa
dc.typeArticle in Presseng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.publisher.programCiencias Básicasspa
dc.contributor.affiliationHadad, C., Universidad de Antioquia;Florez, E., Universidad de Medellín;Acelas, N., Universidad de Medellín;Merino, G., Centro de Investigación y de Estudios Avanzados Unidad Mérida Mérida;Restrepo, A., Universidad de Antioquiaspa
dc.identifier.doi10.1002/qua.25766
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.relation.ispartofesInternational Journal of Quantum Chemistryspa
dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.type.driverinfo:eu-repo/semantics/article


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