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Proceedings Paper

Structural and spectral features of (H2O...HF)n complexes where n=1-3
Author(s): Natalja A. Zvereva; Shavkat Sh. Nabiev; Yurii N. Ponomarev
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Paper Abstract

The molecular structure and properties of (H2O...HF)n, n equals 1 - 3, complexes were studied. Structural parameters were found from HF/6-31G* ab initio geometry optimization. Vibrational frequencies were calculated from Newton-Raphson/3-21G ab initio optimization routine of second derivatives of the potential. Analysis of spectral features of complexes such as vibrational band shift has been done.

Paper Details

Date Published: 19 November 1999
PDF: 7 pages
Proc. SPIE 3983, Sixth International Symposium on Atmospheric and Ocean Optics, (19 November 1999); doi: 10.1117/12.370484
Show Author Affiliations
Natalja A. Zvereva, Tomsk State Univ. (Russia)
Shavkat Sh. Nabiev, Kurchatov Institute (Russia)
Yurii N. Ponomarev, Institute of Atmospheric Optics (Russia)

Published in SPIE Proceedings Vol. 3983:
Sixth International Symposium on Atmospheric and Ocean Optics
Gennadii G. Matvienko; Vladimir P. Lukin, Editor(s)

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