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Liquid–Liquid Extraction of Uranyl by TBP: The TBP and Ions Models and Related Interfacial Features Revisited by MD and PMF Simulations

The journal of physical chemistry. B, 2014-03, Vol.118 (11), p.3133-3149

2014

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The [BMI][Tf2N] Ionic Liquid/Water Binary System: A Molecular Dynamics Study of Phase Separation and of the Liquid−Liquid Interface

The journal of physical chemistry. B, 2006-07, Vol.110 (26), p.13076-13085

2006

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Liquid–Liquid Extraction of Uranyl by an Amide Ligand: Interfacial Features Studied by MD and PMF Simulations

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7399-7415

2013

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Ammonium Recognition by 18-Crown‑6 in Different Solutions and at an Aqueous Interface: A Simulation Study

The journal of physical chemistry. B, 2014-12, Vol.118 (48), p.13913-13929

2014

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Oil-Soluble and Water-Soluble BTPhens and Their Europium Complexes in Octanol/Water Solutions: Interface Crossing Studied by MD and PMF Simulations

The journal of physical chemistry. B, 2013-01, Vol.117 (4), p.1110-1122

2013

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Aqueous Interfaces with Hydrophobic Room-Temperature Ionic Liquids: A Molecular Dynamics Study

The journal of physical chemistry. B, 2005-10, Vol.109 (40), p.18964-18973

2005

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Solvation of Ln((III)) lanthanide cations in the [BMI][SCN], [MeBu(3)N][SCN], and [BMI](5)[Ln(NCS)(8)] ionic liquids: a molecular dynamics study

Inorganic chemistry, 2009-05, Vol.48 (10), p.4277-4289

2009

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Basicity, complexation ability and interfacial behavior of BTBPs: a simulation study

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (7), p.2922-2934

2011

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Solvation of Ln(III) Lanthanide Cations in the [BMI][SCN], [MeBu3N][SCN], and [BMI]5[Ln(NCS)8] Ionic Liquids: A Molecular Dynamics Study

Inorganic chemistry, 2009-05, Vol.48 (10), p.4277-4289

2009

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Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics Simulations

Inorganic chemistry, 2007-06, Vol.46 (12), p.4815-4826

2007

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BTP-based ligands and their complexes with Eu(3+) at "oil"/water interfaces. A molecular dynamics study

Physical chemistry chemical physics : PCCP, 2010-09, Vol.12 (36), p.11089-11102

2010

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Strontium Nitrate Extraction to Ionic Liquids by a Crown Ether: A Molecular Dynamics Study of Aqueous Interfaces with C4mim+- vs C8mim+-Based Ionic Liquids

The journal of physical chemistry. B, 2010-11, Vol.114 (43), p.13773-13785

2010

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Acid extraction to a hydrophobic ionic liquid: the role of added tributylphosphate investigated by experiments and simulations

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (15), p.5187-5199

2012

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TBP at the Water−Oil Interface: The Effect of TBP Concentration and Water Acidity Investigated by Molecular Dynamics Simulations

The journal of physical chemistry. B, 2001-11, Vol.105 (45), p.11131-11141

2001

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Adsorption at the Liquid−Liquid Interface in the Biphasic Rhodium Catalyzed Hydroformylation of Olefins Promoted by Cyclodextrins: A Molecular Dynamics Study

The journal of physical chemistry. B, 2006-03, Vol.110 (9), p.4125-4134

2006

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BTP-based ligands and their complexes with Eu3+ at oil/water interfaces. A molecular dynamics study

Physical chemistry chemical physics : PCCP, 2010, Vol.12 (36), p.11089-11102

2010

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Surfactant Behavior of “Ellipsoidal” Dicarbollide Anions: A Molecular Dynamics Study

The journal of physical chemistry. B, 2006-05, Vol.110 (19), p.9488-9498

2006

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Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid

Inorganic chemistry, 2010-07, Vol.49 (14), p.6484-6494

2010

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Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid : comparison of different solvent models

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (36), p.4166-4174

2006

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Alkali Cation Extraction by Calix[4]crown-6 to Room-Temperature Ionic Liquids. The Effect of Solvent Anion and Humidity Investigated by Molecular Dynamics Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (3), p.1106-1117

2006

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Europium(III) and Its Halides in Anhydrous Room-Temperature Imidazolium-Based Ionic Liquids: A Combined TRES, EXAFS, and Molecular Dynamics Study

Inorganic chemistry, 2005-11, Vol.44 (23), p.8355-8367

2005

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Solvation of fluoro and mixed fluoro/chloro complexes of Eu(III) in the [BMI][PF6] room temperature ionic liquid. A theoretical study

Physical chemistry chemical physics : PCCP, 2005-05, Vol.7 (9), p.1926-1932

2005

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Solvation of fluoro and mixed fluoro/chloro complexes of EuIII in the [BMI][PF6] room temperature ionic liquid. A theoretical study

Physical chemistry chemical physics : PCCP, 2005, Vol.7 (9), p.1926-1932

2005

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Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (16), p.1991-2003

2007

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Carbamoylphosphine Oxide Complexes of Trivalent Lanthanide Cations: Role of Counterions, Ligand Binding Mode, and Protonation Investigated by Quantum Mechanical Calculations

Inorganic chemistry, 2002-02, Vol.41 (4), p.727-737

2002

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Liquid–Liquid Extraction of Uranyl by TBP: The TBP and Ions Models and Related Interfacial Features Revisited by MD and PMF Simulations

The [BMI][Tf2N] Ionic Liquid/Water Binary System: A Molecular Dynamics Study of Phase Separation and of the Liquid−Liquid Interface

Liquid–Liquid Extraction of Uranyl by an Amide Ligand: Interfacial Features Studied by MD and PMF Simulations

Ammonium Recognition by 18-Crown‑6 in Different Solutions and at an Aqueous Interface: A Simulation Study

Oil-Soluble and Water-Soluble BTPhens and Their Europium Complexes in Octanol/Water Solutions: Interface Crossing Studied by MD and PMF Simulations

Aqueous Interfaces with Hydrophobic Room-Temperature Ionic Liquids: A Molecular Dynamics Study

Solvation of Ln((III)) lanthanide cations in the [BMI][SCN], [MeBu(3)N][SCN], and [BMI](5)[Ln(NCS)(8)] ionic liquids: a molecular dynamics study

Basicity, complexation ability and interfacial behavior of BTBPs: a simulation study

Solvation of Ln(III) Lanthanide Cations in the [BMI][SCN], [MeBu3N][SCN], and [BMI]5[Ln(NCS)8] Ionic Liquids: A Molecular Dynamics Study

Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics Simulations

BTP-based ligands and their complexes with Eu(3+) at "oil"/water interfaces. A molecular dynamics study

Strontium Nitrate Extraction to Ionic Liquids by a Crown Ether: A Molecular Dynamics Study of Aqueous Interfaces with C4mim+- vs C8mim+-Based Ionic Liquids

Acid extraction to a hydrophobic ionic liquid: the role of added tributylphosphate investigated by experiments and simulations

TBP at the Water−Oil Interface: The Effect of TBP Concentration and Water Acidity Investigated by Molecular Dynamics Simulations

Adsorption at the Liquid−Liquid Interface in the Biphasic Rhodium Catalyzed Hydroformylation of Olefins Promoted by Cyclodextrins: A Molecular Dynamics Study

BTP-based ligands and their complexes with Eu3+ at oil/water interfaces. A molecular dynamics study

Surfactant Behavior of “Ellipsoidal” Dicarbollide Anions: A Molecular Dynamics Study

Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid

Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid : comparison of different solvent models

Alkali Cation Extraction by Calix[4]crown-6 to Room-Temperature Ionic Liquids. The Effect of Solvent Anion and Humidity Investigated by Molecular Dynamics Simulations

Europium(III) and Its Halides in Anhydrous Room-Temperature Imidazolium-Based Ionic Liquids: A Combined TRES, EXAFS, and Molecular Dynamics Study

Solvation of fluoro and mixed fluoro/chloro complexes of Eu(III) in the [BMI][PF6] room temperature ionic liquid. A theoretical study

Solvation of fluoro and mixed fluoro/chloro complexes of EuIII in the [BMI][PF6] room temperature ionic liquid. A theoretical study

Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface

Carbamoylphosphine Oxide Complexes of Trivalent Lanthanide Cations: Role of Counterions, Ligand Binding Mode, and Protonation Investigated by Quantum Mechanical Calculations

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