This article is cited in 18 papers

Communications

Chemical bonding and effective atomic states of actinides in higher oxide molecules

A. V. Zaitsevskii^ab, L. V. Skripnikov^bc, A. V. Titov<sup>bc

a</sup> Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad region, Russian Federation
^c Department of Physics, St. Petersburg State University, St. Petersburg, Russian Federation

Abstract: The new concept of atoms in compounds (AiC) is used to derive effective atomic configurations of plutonium and transplutonium elements in higher oxide molecules from the results of DFT calculations.

Language: English

DOI: 10.1016/j.mencom.2016.07.013

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