NNOHCl complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals

Ludwik Adamowicz

doi:10.1016/0009-2614(91)90162-3

NNOHCl complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals

Ludwik Adamowicz

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

6 Scopus citations

Abstract

The coupled cluster method and the first-order correlation orbital technique is applied to determine which N₂OHCl configuration out of three planar equilibrium structures found in the MBPT (2) geometry optimizations is the most stable. The result agrees with the recent experimental determination of Kukolich and co-workers.

Original language	English (US)
Pages (from-to)	249-254
Number of pages	6
Journal	Chemical Physics Letters
Volume	176
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(91)90162-3
State	Published - Jan 11 1991

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(91)90162-3

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title = "NNOHCl complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals",

abstract = "The coupled cluster method and the first-order correlation orbital technique is applied to determine which N2OHCl configuration out of three planar equilibrium structures found in the MBPT (2) geometry optimizations is the most stable. The result agrees with the recent experimental determination of Kukolich and co-workers.",

author = "Ludwik Adamowicz",

year = "1991",

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doi = "10.1016/0009-2614(91)90162-3",

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AU - Adamowicz, Ludwik

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N2 - The coupled cluster method and the first-order correlation orbital technique is applied to determine which N2OHCl configuration out of three planar equilibrium structures found in the MBPT (2) geometry optimizations is the most stable. The result agrees with the recent experimental determination of Kukolich and co-workers.

AB - The coupled cluster method and the first-order correlation orbital technique is applied to determine which N2OHCl configuration out of three planar equilibrium structures found in the MBPT (2) geometry optimizations is the most stable. The result agrees with the recent experimental determination of Kukolich and co-workers.

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JO - Chemical Physics Letters

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NNOHCl complex. Ab initio calculations with the coupled cluster method and first-order correlation orbitals

Abstract

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