An ab initio study of PuO2 and of PuN2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference20 articles.
1. Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2? (X=F, Cl, OH) and AnF6 (An=U, Np, Pu)
2. Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6
3. The electronic structure of actinide-containing molecules: a challenge to applied quantum chemistry
4. Quasirelativistic Pseudopotential Study of Species Isoelectronic to Uranyl and the Equatorial Coordination of Uranyl
5. Electronic structure and bonding in actinyl ions
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3. Ground state properties of actinide dioxides: A self-consistent Hubbard U approach with spin orbit coupling;International Journal of Computational Materials Science and Engineering;2017-03
4. Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides;Chemical Reviews;2015-02-13
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