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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 13: Atoms, Molecules, and Clusters in Motion
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Atoms, Molecules and Clusters in Motion

On the use of reduced-density matrices for the semi-automatic assignment of vibrational states

Jan ŠmydkeMTA-ELTE Complex Chemical Systems Research Group and Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, HungaryView further author information
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Attila G. CsászárMTA-ELTE Complex Chemical Systems Research Group and Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, HungaryCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-5640-191XView further author information
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Pages 1682-1693 | Received 27 Sep 2018, Accepted 13 Nov 2018, Published online: 14 Feb 2019

Citations (7)

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Read on this site (1)

Attila G. Császár & Majdi Hochlaf. (2019) Special issue: atoms, molecules, and clusters in motion. Molecular Physics 117:13, pages 1587-1588.
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Articles from other publishers (6)

Eamon K. Conway, Iouli E. Gordon, Oleg L. Polyansky & Jonathan Tennyson. (2021) Determination of quantum labels based on projections of the total angular momentum on the molecule-fixed axis. Journal of Quantitative Spectroscopy and Radiative Transfer 270, pages 107716.
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Jan Šmydke & Attila G. Császár. (2021) Understanding the structure of complex multidimensional wave functions. A case study of excited vibrational states of ammonia. The Journal of Chemical Physics 154:14.
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Attila G. Császár, Csaba Fábri & Tamás Szidarovszky. 2021. Molecular Spectroscopy and Quantum Dynamics. Molecular Spectroscopy and Quantum Dynamics 43 78 .
Tibor Furtenbacher, Roland Tóbiás, Jonathan Tennyson, Oleg L. Polyansky, Aleksandra A. Kyuberis, Roman I. Ovsyannikov, Nikolay F. Zobov & Attila G. Császár. (2020) The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. II. H217O and H218O with an Update to H216O. Journal of Physical and Chemical Reference Data 49:4.
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Xiao-Gang Wang & Tucker CarringtonJr.Jr.. (2020) A variational calculation of vibrational levels of vinyl radical. The Journal of Chemical Physics 152:20.
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Attila G. Császár, Csaba Fábri & János Sarka. (2019) Quasistructural molecules. WIREs Computational Molecular Science 10:1.
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