Extraction of Am(III) and Eu(III) from Nitrate Solution with Purified Cyanex 301
|
journal
|
January 1996 |
Preferential extraction of lanthanides over trivalent actinides by monoacidic organophosphates from carboxylic acids and from mixtures of carboxylic and aminopolyacetic acids
|
journal
|
January 1968 |
Generalized Gradient Approximation Made Simple
|
journal
|
October 1996 |
Effect of the Introduction of Amide Oxygen into 1,10-Phenanthroline on the Extraction and Complexation of Trivalent Lanthanide in Acidic Condition
|
journal
|
November 2010 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
|
journal
|
January 1988 |
A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compounds
|
journal
|
June 1993 |
Can Quantum Chemical Methods be used to Predict Gibbs Energies for Reactions in Solution? A Case Study using Binary and Ternary Lanthanide(III) and Actinide(III) - Tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione] (TTA) – Tributyl/Trimethyl phosphate (TBP/TMP) Complexes
|
journal
|
July 2013 |
Quasirelativistic energy-consistent 5f-in-core pseudopotentials for trivalent actinide elements
|
journal
|
November 2006 |
Substituent effects on BTP's basicity and complexation properties with Ln III lanthanide ions
|
journal
|
January 2011 |
Density-functional exchange-energy approximation with correct asymptotic behavior
|
journal
|
September 1988 |
Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory of Dithiophosphinate Extractants: Minor Actinide Selectivity and Electronic Structure Correlations
|
journal
|
August 2012 |
Dependence of Extraction Properties of 2,6-Dicarboxypyridine Diamides on Extractant Structure
|
journal
|
July 2011 |
Energy-adjusted pseudopotentials for the rare earth elements
|
journal
|
January 1989 |
Complexation and Extraction of Trivalent Actinides and Lanthanides by Triazinylpyridine N -Donor Ligands
|
journal
|
October 2012 |
Thermodynamic Study on the Complexation of Am(III) and Eu(III) with Tetradentate Nitrogen Ligands: A Probe of Complex Species and Reactions in Aqueous Solution
|
journal
|
December 2011 |
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
|
journal
|
June 1986 |
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
|
journal
|
November 2006 |
Water characteristics depend on the ionic environment. Thermodynamics and modelisation of the aquo ions
|
journal
|
February 2001 |
First-Principles Study of the Separation of Am III /Cm III from Eu III with Cyanex301
|
journal
|
November 2010 |
Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
|
journal
|
May 1994 |
6-(3,5-Dimethyl-1 H -pyrazol-1-yl)-2,2′-bipyridine as Ligand for Actinide(III)/Lanthanide(III) Separation
|
journal
|
October 2010 |
Design Criteria for Polyazine Extractants To Separate An III from Ln III
|
journal
|
August 2013 |
Recent achievements in the development of partitioning processes of minor actinides from nuclear wastes obtained in the frame of the NEWPART European programme (1996–1999)
|
journal
|
April 2002 |
Recent advances in computational actinoid chemistry
|
journal
|
January 2012 |
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
|
journal
|
January 1993 |
Toward a Clear-Cut Vision on the Origin of 2,6-Di(1,2,4-triazin-3-yl)pyridine Selectivity for Trivalent Actinides: Insights from Theory
|
journal
|
October 2006 |
Selectivity of bis-triazinyl bipyridine ligands for americium(iii) in Am/Eu separation by solvent extraction. Part 1. Quantum mechanical study on the structures of BTBP complexes and on the energy of the separation
|
journal
|
January 2012 |
Use of Soft Heterocyclic N-Donor Ligands To Separate Actinides and Lanthanides
|
journal
|
June 2012 |
Complexation and Separation of Lanthanides(III) and Actinides(III) by Heterocyclic N-Donors in Solutions
|
journal
|
October 2008 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
|
journal
|
July 2007 |
New Diamides of 2,2′-dipyridyl-6,6′-dicarboxylic Acid for Actinide-Lanthanide Separation
|
journal
|
January 2014 |
Theoretical insights into covalency driven f element separations
|
journal
|
January 2013 |
Predicting the Stability Constants of Metal-Ion Complexes from First Principles
|
journal
|
September 2013 |
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning
|
journal
|
June 2012 |
Excellent Selectivity for Actinides with a Tetradentate 2,9-Diamide-1,10-Phenanthroline Ligand in Highly Acidic Solution: A Hard–Soft Donor Combined Strategy
|
journal
|
January 2014 |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
|
journal
|
September 2010 |
Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models
|
journal
|
August 2009 |
Thermodynamic properties of some tri- and tetravalent actinide aquo ions
|
journal
|
January 2003 |
Valence basis sets for lanthanide 4f-in-core pseudopotentials adapted for crystal orbital ab initio calculations
|
journal
|
April 2005 |
DFT modeling of the relative affinity of nitrogen ligands for trivalent f elements: an energetic point of view
|
journal
|
January 2007 |
Selectivity of Azine Ligands Toward Lanthanide(III)/Actinide(III) Differentiation: A Relativistic DFT Based Rationalization
|
journal
|
April 2014 |
Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process
|
journal
|
July 2012 |
Thermodynamic Study of the Complexation of Trivalent Actinide and Lanthanide Cations by ADPTZ, a Tridentate N-Donor Ligand
|
journal
|
March 2005 |
The pyridyl group in ligand design for selective metal ion complexation and sensing
|
journal
|
January 2013 |
Theoretical Examination of the Thermodynamic Factors in the Selective Extraction of Am 3+ from Eu 3+ by Dithiophosphinic Acids
|
journal
|
December 2011 |
Review Article: A Review of the Development and Operational Characteristics of the TALSPEAK Process
|
journal
|
October 2007 |
Synthesis of symmetric dithiophosphinic acids for “minor actinide” extraction
|
journal
|
June 2008 |