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A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures

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A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures. / Armstrong, Sapphire; Malcomson, Thomas; Kerridge, Andy.
In: Physical Chemistry Chemical Physics, Vol. 24, No. 43, 21.11.2022, p. 26692-26700.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

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Armstrong S, Malcomson T, Kerridge A. A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures. Physical Chemistry Chemical Physics. 2022 Nov 21;24(43):26692-26700. Epub 2022 Oct 21. doi: 10.1039/d2cp02878f

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Armstrong, Sapphire ; Malcomson, Thomas ; Kerridge, Andy. / A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures. In: Physical Chemistry Chemical Physics. 2022 ; Vol. 24, No. 43. pp. 26692-26700.

Bibtex

@article{97a641e26d3a4efabaafb5735638355b,
title = "A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures",
abstract = "The structures of electronically excited states of uranyl are probed via density-based analysis to deepen understanding of uranium bonding.",
keywords = "Physical and Theoretical Chemistry, General Physics and Astronomy",
author = "Sapphire Armstrong and Thomas Malcomson and Andy Kerridge",
year = "2022",
month = nov,
day = "21",
doi = "10.1039/d2cp02878f",
language = "English",
volume = "24",
pages = "26692--26700",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "43",

}

RIS

TY - JOUR

T1 - A theoretical investigation of uranyl covalency via symmetry-preserving excited state structures

AU - Armstrong, Sapphire

AU - Malcomson, Thomas

AU - Kerridge, Andy

PY - 2022/11/21

Y1 - 2022/11/21

N2 - The structures of electronically excited states of uranyl are probed via density-based analysis to deepen understanding of uranium bonding.

AB - The structures of electronically excited states of uranyl are probed via density-based analysis to deepen understanding of uranium bonding.

KW - Physical and Theoretical Chemistry

KW - General Physics and Astronomy

U2 - 10.1039/d2cp02878f

DO - 10.1039/d2cp02878f

M3 - Journal article

VL - 24

SP - 26692

EP - 26700

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 43

ER -