Publication:
Solvation of K+ in helium droplets

Simple item page
dc.contributor.coauthorYıldırım, Erol
dc.contributor.coauthorYurtsever, Mine
dc.contributor.coauthorBodo, Enrico
dc.contributor.coauthorGianturco, Franco A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.kuprofileFaculty Member
dc.contributor.otherDepartment of Chemistry
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.contributor.yokid7129
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.indexedbyWoS
dc.description.indexedbyScopus
dc.description.issue44986
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.volume43
dc.identifier.doi10.1140/epjd/e2007-00068-x
dc.identifier.eissn1434-6079
dc.identifier.issn1434-6060
dc.identifier.quartileQ3
dc.identifier.scopus2-s2.0-34249672101
dc.identifier.urihttp://dx.doi.org/10.1140/epjd/e2007-00068-x
dc.identifier.urihttps://hdl.handle.net/20.500.14288/7548
dc.identifier.wos246772500026
dc.keywordsN/A
dc.languageEnglish
dc.publisherSpringer
dc.sourceEuropean Physical Journal D
dc.subjectOptics
dc.subjectPhysics
dc.subjectAtom
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.authorid0000-0001-9245-9596
local.contributor.kuauthorYurtsever, İsmail Ersin
relation.isOrgUnitOfPublication035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb

Files

Collections

Publications without Fulltext