Dataset
Supporting Data: ITI and Uranium-Arene σ-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial
figshare
06/30/2025
DOI: 10.6084/m9.figshare.28465751
Abstract
Supporting Computational Data from the manuscript titled "ITI and Uranium-Arene s-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial" by Benedikt Kestel, Daniel Pividori, Sabyasachi Roy Chowdhury, Frank W. Heinemann, Bess Vlaisavljevich, and Karsten Meyer published in J. Am. Chem. Soc. (DOI: 10.1021/jacs.5c05029).
Details
- Title: Subtitle
- Supporting Data: ITI and Uranium-Arene σ-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial
- Creators
- Bess VlaisavljevichSabyasachi Roy Chowdhury
- Resource Type
- Dataset
- DOI
- 10.6084/m9.figshare.28465751
- Publisher
- figshare
- Grant note
- CASPT2 Geometries, Spectra, and Relativistic Electronic Structures of Actinide Species - DE-SC0025311 / Office of Basic Energy Sciences (https://ror.org/05mg91w61)
- Language
- English
- Date published
- 06/30/2025
- Academic Unit
- Chemistry
- Record Identifier
- 9984845455402771
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