Solvation of K+ in helium droplets

E. Yurtsever; E. Yildirim; M. Yurtsever; E. Bodo; F. A. Gianturco

doi:10.1140/epjd/e2007-00068-x

Solvation of K⁺ in helium droplets

E. Yurtsever^*
, E. Yildirim
, M. Yurtsever
, E. Bodo
, F. A. Gianturco

^*Bu çalışma için yazışmadan sorumlu yazar

Kimya Bölümü

Araştırma sonucu: Dergiye katkı › Makale › bilirkişi

7 Atıf (Scopus)

Özet

Solvation 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 KHe_n ⁺ 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.

Orijinal dil	İngilizce
Sayfa (başlangıç-bitiş)	105-108
Sayfa sayısı	4
Dergi	European Physical Journal D
Hacim	43
Basın numarası	1-3
DOI'lar	https://doi.org/10.1140/epjd/e2007-00068-x
Yayın durumu	Yayınlandı - Tem 2007

Belgeye Erişim

10.1140/epjd/e2007-00068-x

Diğer Dosyalar ve Linkler

Link to publication in Scopus

Alıntı Yap

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title = "Solvation of K+ in helium droplets",

abstract = "Solvation 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.",

author = "E. Yurtsever and E. Yildirim and M. Yurtsever and E. Bodo and Gianturco, \{F. A.\}",

year = "2007",

month = jul,

doi = "10.1140/epjd/e2007-00068-x",

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journal = "European Physical Journal D",

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T1 - Solvation of K+ in helium droplets

AU - Yurtsever, E.

AU - Yildirim, E.

AU - Yurtsever, M.

AU - Bodo, E.

AU - Gianturco, F. A.

PY - 2007/7

Y1 - 2007/7

N2 - Solvation 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.

AB - Solvation 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.

UR - https://www.scopus.com/pages/publications/34249672101

U2 - 10.1140/epjd/e2007-00068-x

DO - 10.1140/epjd/e2007-00068-x

M3 - Article

AN - SCOPUS:34249672101

SN - 1434-6060

VL - 43

SP - 105

EP - 108

JO - European Physical Journal D

JF - European Physical Journal D

IS - 1-3