Structure and energetics of ArnNO- clusters from ab initio calculations

Jacek Jakowski; Jacek Kłos; Grzegorz Chałasiński; Mark W. Severson; M. M. Szczȩśniak; Sławomir M. Cybulski

doi:10.1063/1.481730

Structure and energetics of Ar_nNO^- clusters from ab initio calculations

Jacek Jakowski, Jacek Kłos, Grzegorz Chałasiński, Mark W. Severson, M. M. Szczȩśniak, Sławomir M. Cybulski

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9 Scopus citations

Abstract

The potential energy surface for the ground sate of the Ar-NO^-(³Σ^-) complex was calculated at the unrestricted Moller-Plesset perturbation theory through the fourth order (UMP4). The ground vibrational state dissociation energy produced by the complex was calculated to be 587 cm^-1. It was also noted that the ground state complex exhibits a fairly rigid T-shape structure.

Original language	English
Pages (from-to)	10895-10904
Number of pages	10
Journal	Journal of Chemical Physics
Volume	112
Issue number	24
DOIs	https://doi.org/10.1063/1.481730
State	Published - Jun 22 2000
Externally published	Yes

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abstract = "The potential energy surface for the ground sate of the Ar-NO-(3Σ-) complex was calculated at the unrestricted Moller-Plesset perturbation theory through the fourth order (UMP4). The ground vibrational state dissociation energy produced by the complex was calculated to be 587 cm-1. It was also noted that the ground state complex exhibits a fairly rigid T-shape structure.",

author = "Jacek Jakowski and Jacek K{\l}os and Grzegorz Cha{\l}asi{\'n}ski and Severson, {Mark W.} and Szczȩ{\'s}niak, {M. M.} and Cybulski, {S{\l}awomir M.}",

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AU - Jakowski, Jacek

AU - Kłos, Jacek

AU - Chałasiński, Grzegorz

AU - Severson, Mark W.

AU - Szczȩśniak, M. M.

AU - Cybulski, Sławomir M.

PY - 2000/6/22

Y1 - 2000/6/22

N2 - The potential energy surface for the ground sate of the Ar-NO-(3Σ-) complex was calculated at the unrestricted Moller-Plesset perturbation theory through the fourth order (UMP4). The ground vibrational state dissociation energy produced by the complex was calculated to be 587 cm-1. It was also noted that the ground state complex exhibits a fairly rigid T-shape structure.

AB - The potential energy surface for the ground sate of the Ar-NO-(3Σ-) complex was calculated at the unrestricted Moller-Plesset perturbation theory through the fourth order (UMP4). The ground vibrational state dissociation energy produced by the complex was calculated to be 587 cm-1. It was also noted that the ground state complex exhibits a fairly rigid T-shape structure.

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SP - 10895

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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ER -

Structure and energetics of Ar_nNO^- clusters from ab initio calculations

Abstract

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