Publication:
Solvation of K+ in helium droplets

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dc.conference.dateJUL 23-28, 2006
dc.conference.locationGoteborg, Sweden
dc.conference.organizer13th International Symposium on Small Particles and Inorganic Clusters
dc.contributor.coauthorYıldırım, Erol
dc.contributor.coauthorYurtsever, Mine
dc.contributor.coauthorBodo, Enrico
dc.contributor.coauthorGianturco, Franco A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.facultymemberYes
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T22:57:24Z
dc.date.issued2007
dc.description.abstractSolvation of K+ in helium droplets is studied by classical simulation methods. We have previously shown that additive potentials can be used to describe structures of helium droplets when an ionic species is present. Here, we present an accurate ab-initio potential for the K+ - He interaction. Global minima of KHen+ for up to n=70 are searched for employing Basin Hopping Monte Carlo simulations with a random growth scheme. The extent of the solvation is analyzed. A clear formation of two shells with 15 and 23 atoms is detected.
dc.description.fulltextNo
dc.description.harvestedfromManual
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.openaccessNO
dc.description.peerreviewstatusN/A
dc.description.publisherscopeInternational
dc.description.readpublishN/A
dc.description.sponsoredbyTubitakEuN/A
dc.description.studentonlypublicationNo
dc.description.studentpublicationNo
dc.description.versionN/A
dc.identifier.WoSQuartileQ3
dc.identifier.doi10.1140/epjd/e2007-00068-x
dc.identifier.eissn1434-6079
dc.identifier.embargoN/A
dc.identifier.endpage108
dc.identifier.issn1434-6060
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-34249672101
dc.identifier.startpage105
dc.identifier.urihttps://doi.org/10.1140/epjd/e2007-00068-x
dc.identifier.urihttps://hdl.handle.net/20.500.14288/7548
dc.identifier.volume43
dc.identifier.wos000246772500026
dc.keywordsIon solvation
dc.keywordsHelium clusters
dc.keywordsComputational simulation
dc.language.isoeng
dc.publisherSpringer Nature
dc.relation.affiliationKoç University
dc.relation.collectionKoç University Institutional Repository
dc.relation.ispartofEuropean Physical Journal D
dc.relation.openaccessN/A
dc.rightsN/A
dc.subjectOptics
dc.subjectPhysics
dc.subjectAtomic structure
dc.subjectMolecules
dc.subjectMolecular dynamics
dc.subjectChemistry
dc.titleSolvation of K+ in helium droplets
dc.typeConference Proceeding
dspace.entity.typePublication
local.contributor.kuauthorYurtsever, İsmail Ersin
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