Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12

N. Bork; T. Kurtén; M. B. Enghoff; J. O. P. Pedersen; Kurt Valentin Mikkelsen; Henrik Svensmark

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12

N. Bork, T. Kurtén, M. B. Enghoff, J. O. P. Pedersen, Kurt Valentin Mikkelsen, Henrik Svensmark

Kemisk Institut

33 Citationer (Scopus)

Abstract

An ab initio study of gaseous clusters of O^-₂ and O^-₃ with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find that anionic O^-₂(H ₂O) and O^-₃(H₂.

Originalsprog	Engelsk
Tidsskrift	Atmospheric Chemistry and Physics
Vol/bind	11
Sider (fra-til)	7133-7142
ISSN	1680-7316
Status	Udgivet - 2011

Citationsformater

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title = "Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12",

abstract = "An ab initio study of gaseous clusters of O-2 and O-3 with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find that anionic O-2(H 2O) and O-3(H2.",

author = "N. Bork and T. Kurt{\'e}n and Enghoff, {M. B.} and Pedersen, {J. O. P.} and Mikkelsen, {Kurt Valentin} and Henrik Svensmark",

year = "2011",

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journal = "Atmospheric Chemistry and Physics",

issn = "1680-7316",

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TY - JOUR

T1 - Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12

AU - Bork, N.

AU - Kurtén, T.

AU - Enghoff, M. B.

AU - Pedersen, J. O. P.

AU - Mikkelsen, Kurt Valentin

AU - Svensmark, Henrik

PY - 2011

Y1 - 2011

N2 - An ab initio study of gaseous clusters of O-2 and O-3 with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find that anionic O-2(H 2O) and O-3(H2.

AB - An ab initio study of gaseous clusters of O-2 and O-3 with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find that anionic O-2(H 2O) and O-3(H2.

M3 - Journal article

SN - 1680-7316

VL - 11

SP - 7133

EP - 7142

JO - Atmospheric Chemistry and Physics

JF - Atmospheric Chemistry and Physics

ER -

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12

Abstract

Fingeraftryk

Citationsformater