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Unraveling the Molecular Structure and Dual Bonding Nature of Americyl Captured by a Phenanthroline-Based Covalent Organic Framework (DAPhen)

https://doi.org/10.2139/ssrn.6151333
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Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond?
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The Circuitous Journey from Malonamides to BTPhens
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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
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Single-cycle separation of americium (III) from simulated high-level liquid waste using tetra-bis(2-ethylhexyl)diglycolamide and bis(2-ethylhexyl)phosphoric acid solution
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Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm
inferredcites →https://doi.org/10.1021/acs.accounts.5b00369openalex-snapshot
Chemistry of Covalent Organic Frameworks
inferredcites →https://doi.org/10.1021/acs.iecr.7b01181openalex-snapshot
Hexavalent Actinide Extraction Using N,N-Dialkyl Amides
inferredcites →https://doi.org/10.1021/acs.inorgchem.1c02982openalex-snapshot
Structural Insight into Complexation Ability and Coordination of Uranyl Nitrate by 1,10-Phenanthroline-2,9-diamides
inferredcites →https://doi.org/10.1021/acs.inorgchem.2c03571openalex-snapshot
Solvation-Anionic Exchange Mechanism of Solvent Extraction: Enhanced U(VI) Uptake by Tetradentate Phenanthroline Ligands
inferredcites →https://doi.org/10.1021/acs.inorgchem.3c04173openalex-snapshot
Selective Separation of U(VI) from Pu(IV) by 2,9-Diamide-1,10-phenanthroline Ligands at High Acidity: Extraction and Coordination Chemistry
inferredcites →https://doi.org/10.1021/acs.inorgchem.7b00990openalex-snapshot
Kinetics of the Autoreduction of Hexavalent Americium in Aqueous Nitric Acid
inferredcites →https://doi.org/10.1021/acs.inorgchem.8b03592openalex-snapshot
Selective Separation and Complexation of Trivalent Actinide and Lanthanide by a Tetradentate Soft–Hard Donor Ligand: Solvent Extraction, Spectroscopy, and DFT Calculations
inferredcites →https://doi.org/10.1021/acs.inorgchem.9b00854openalex-snapshot
Effect of Ionizing Radiation on the Redox Chemistry of Penta- and Hexavalent Americium
inferredcites →https://doi.org/10.1021/acs.jctc.1c00026openalex-snapshot
Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments
inferredcites →https://doi.org/10.1021/acs.jpca.3c04374openalex-snapshot
Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory
inferredcites →https://doi.org/10.1021/ar00109a003openalex-snapshot
Atoms in molecules
inferredcites →https://doi.org/10.1021/cr100181fopenalex-snapshot
Higher Oxidation States of Americium: Preparation, Characterization and Use for Separations
inferredcites →https://doi.org/10.1021/ic402784copenalex-snapshot
Excellent Selectivity for Actinides with a Tetradentate 2,9-Diamide-1,10-Phenanthroline Ligand in Highly Acidic Solution: A Hard–Soft Donor Combined Strategy
inferredcites →https://doi.org/10.1021/ic800667hopenalex-snapshot
Tributylphosphate Extraction Behavior of Bismuthate-Oxidized Americium
inferredcites →https://doi.org/10.1021/j100096a001openalex-snapshot
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
inferredcites →https://doi.org/10.1021/jacs.2c00594openalex-snapshot
Ultra-Efficient Americium/Lanthanide Separation through Oxidation State Control
inferredcites →https://doi.org/10.1038/s41586-023-05840-zopenalex-snapshot
Ultrafiltration separation of Am(VI)-polyoxometalate from lanthanides
inferredcites →https://doi.org/10.1038/s41586-023-05945-5openalex-snapshot
Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer
inferredcites →https://doi.org/10.1039/b508541aopenalex-snapshot
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1039/c2cs35072fopenalex-snapshot
Covalent organic frameworks (COFs): from design to applications
inferredcites →https://doi.org/10.1039/c2cs35157aopenalex-snapshot
Covalent organic frameworks
inferredcites →https://doi.org/10.1039/c5cc00567aopenalex-snapshot
Effective separation of the actinides Am( iii ) and Cm( iii ) by electronic modulation of bis-(1,2,4-triazin-3-yl)phenanthrolines
inferredcites →https://doi.org/10.1039/c8cs00919hopenalex-snapshot
Covalent organic frameworks for membrane separation
inferredcites →https://doi.org/10.1039/c9cs00827fopenalex-snapshot
Covalent organic frameworks for separation applications
inferredcites →https://doi.org/10.1039/d1cp02805gopenalex-snapshot
Efficient evaluation of electrostatic potential with computerized optimized code
inferredcites →https://doi.org/10.1039/d2qi01153kopenalex-snapshot
New tetradentate N , O -hybrid phenanthroline-derived organophosphorus extractants for the separation and complexation of trivalent actinides and lanthanides
inferredcites →https://doi.org/10.1063/1.466847openalex-snapshot
Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
inferredcites →https://doi.org/10.1063/1.478522openalex-snapshot
Toward reliable density functional methods without adjustable parameters: The PBE0 model
inferredcites →https://doi.org/10.1063/1.5090222openalex-snapshot
A generally applicable atomic-charge dependent London dispersion correction
inferredcites →https://doi.org/10.1080/00268977400100171openalex-snapshot
Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory
inferredcites →https://doi.org/10.1080/07366299.2023.2239866openalex-snapshot
Investigation of f-Element Interactions with Functionalized Diamides of Phenanthroline-Based Ligands
inferredcites →https://doi.org/10.1103/physrevb.54.1703openalex-snapshot
Separable dual-space Gaussian pseudopotentials
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1146/annurev-chembioeng-112019-084830openalex-snapshot
Covalent Organic Frameworks in Separation
inferredcites →https://doi.org/10.1524/ract.2011.1805openalex-snapshot
Metal ion selectivities of the highly preorganized tetradentate ligand 1,10-phenanthroline-2,9-dicarboxamide with lanthanide(III) ions and some actinide ions
inferredcites →https://doi.org/10.3390/en15197380openalex-snapshot
Isolation and Purification of Actinides Using N,O-Hybrid Donor Ligands for Closing the Nuclear Fuel Cycle
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