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

Research output: Contribution to journal › Article › peer-review

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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10.1063/1.481730

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title = "Structure and energetics of ArnNO- clusters from ab initio calculations",

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.

UR - https://www.scopus.com/pages/publications/0343826752

U2 - 10.1063/1.481730

DO - 10.1063/1.481730

M3 - Article

AN - SCOPUS:0343826752

SN - 0021-9606

VL - 112

SP - 10895

EP - 10904

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 24

ER -

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

Abstract

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