Modeling of the three-body effects in the Ar2O- trimer from ab initio calculations

Jacek Jakowski; Grzegorz Chalasiński; S. M. Cybulski; M. M. Szczȩśniak

doi:10.1063/1.1531109

Modeling of the three-body effects in the Ar₂O^- trimer from ab initio calculations

Jacek Jakowski, Grzegorz Chalasiński, S. M. Cybulski, M. M. Szczȩśniak

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8 Scopus citations

Abstract

The equilibrium structure of Ar₂O^- was examined and found to be linear, with R_e of 3.02 Å, practically identical to that for the ArO^- dimer. Several three-body model potentials were considered to represent the genuine nonadditive effects.

Original language	English
Pages (from-to)	2731-2747
Number of pages	17
Journal	Journal of Chemical Physics
Volume	118
Issue number	6
DOIs	https://doi.org/10.1063/1.1531109
State	Published - Feb 8 2003
Externally published	Yes

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title = "Modeling of the three-body effects in the Ar2O- trimer from ab initio calculations",

abstract = "The equilibrium structure of Ar2O- was examined and found to be linear, with Re of 3.02 {\AA}, practically identical to that for the ArO- dimer. Several three-body model potentials were considered to represent the genuine nonadditive effects.",

author = "Jacek Jakowski and Grzegorz Chalasi{\'n}ski and Cybulski, {S. M.} and Szczȩ{\'s}niak, {M. M.}",

year = "2003",

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AU - Jakowski, Jacek

AU - Chalasiński, Grzegorz

AU - Cybulski, S. M.

AU - Szczȩśniak, M. M.

PY - 2003/2/8

Y1 - 2003/2/8

N2 - The equilibrium structure of Ar2O- was examined and found to be linear, with Re of 3.02 Å, practically identical to that for the ArO- dimer. Several three-body model potentials were considered to represent the genuine nonadditive effects.

AB - The equilibrium structure of Ar2O- was examined and found to be linear, with Re of 3.02 Å, practically identical to that for the ArO- dimer. Several three-body model potentials were considered to represent the genuine nonadditive effects.

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U2 - 10.1063/1.1531109

DO - 10.1063/1.1531109

M3 - Article

AN - SCOPUS:0037425871

SN - 0021-9606

VL - 118

SP - 2731

EP - 2747

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 6

ER -

Modeling of the three-body effects in the Ar₂O^- trimer from ab initio calculations

Abstract

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