DFT optimized coordinates for An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Degeneracy

Figshare 2026 Dataset Open access

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Authors: Chad M. Studvick, Henry S. La Pierre, Julie E. Niklas, K. Otte, Ivan Popov
DOI: 10.6084/m9.figshare.29042807
Cited by: 0

Abstract

The xyz coordinates for the optimized geometries of the 1-An and 2-An complexes

Fields of Study & Subjects

Radioactive element chemistry and processing Synthesis and characterization of novel inorganic/organometallic compounds Organometallic Complex Synthesis and Catalysis

Publication details

Journal / source
Figshare
Publication date
1 January 2026
Language
EN
Document type
Dataset