Hydration of lanthanoids(III) and actinoids(III): an experimental/theoretical saga (Q38034707)

27 August 2017

title

Hydration of lanthanoids(III) and actinoids(III): an experimental/theoretical saga (English)

1 reference

27 August 2017

Paola D'Angelo

1

1 reference

27 August 2017

Riccardo Spezia

series ordinal

2

1 reference

27 August 2017

language of work or name

English

0 references

publication date

14 August 2012

1 reference

Chemistry—A European Journal

27 August 2017

published in

1 reference

27 August 2017

volume

18

1 reference

27 August 2017

issue

36

1 reference

27 August 2017

page(s)

11162-11178

1 reference

Inorganic and bioinorganic solvent exchange mechanisms

27 August 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

High-energy X-ray absorption spectroscopy: a new tool for structural investigations of lanthanoids and third-row transition elements

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Quantum mechanical continuum solvation models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Trends in aqueous hydration across the 4f period assessed by reliable computational methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Unified Approach for Molecular Dynamics and Density-Functional Theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Hydration structure of Y3+ and La3+ compared: an application of metadynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Gadolinium (III) ion in liquid water: structure, dynamics, and magnetic interactions from first principles

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Ab initio simulation of a gadolinium-based magnetic resonance imaging contrast agent in aqueous solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Water exchange of a ProHance MRI contrast agent: isomer-dependent free-energy landscapes and mechanisms

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solutions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Ion solvation thermodynamics from simulation with a polarizable force field

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: a molecular dynamics study of structure and dynamics of the whole series.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Hydration of lanthanoid(III) ions in aqueous solution and crystalline hydrates studied by EXAFS spectroscopy and crystallography: the myth of the "gadolinium break".

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Analysis of the detailed configuration of hydrated lanthanoid(III) ions in aqueous solution and crystalline salts by using K- and L(3)-edge XANES spectroscopy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Structures and energetics of erbium chloride complexes in aqueous solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Atomistic description of binary lanthanoid salt solutions: a coarse-graining approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Coordination chemistry of trivalent lanthanide and actinide ions in dilute and concentrated chloride solutions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Structural study of the N,N'-dimethylpropyleneurea solvated lanthanoid(III) ions in solution and solid state with an analysis of the ionic radii of lanthanoid(III) ions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Recent developments in computational actinide chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Theoretical actinide molecular science

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Effect of hydration on coordination properties of uranyl(VI) complexes. A first-principles molecular dynamics study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Equatorial and apical solvent shells of the UO2 2+ ion.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

The coordination of uranyl in water: a combined quantum chemical and molecular simulation study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Unravelling the hydration structure of ThX4 (X = Br, Cl) water solutions by molecular dynamics simulations and X-ray absorption spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Hydration of Cm3+ in aqueous solution from 20 to 200 degrees C. A time-resolved laser fluorescence spectroscopy study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Local Structure in Americium and Californium Hexacyanoferrates - Comparison with Their Lanthanide Analogues

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Condensed-matter physics. An expanding view of plutonium.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Structural and density functional studies of uranium(III) and lanthanum(III) complexes with a neutral tripodal N-donor ligand suggesting the presence of a U-N back-bonding interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Reaching the Maximum Multiplicity of the Covalent Chemical Bond

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Reaching the maximum multiplicity of the covalent chemical bond

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Synthesis of imido analogs of the uranyl ion.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) β-ketoiminate N,O donor complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Combined triple and double bonds to uranium: the N≡U=N-H uranimine nitride molecule prepared in solid argon

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Ion distributions near a liquid-liquid interface.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

First-principles study of the separation of Am(III)/Cm(III) from Eu(III) with Cyanex301.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Redox behavior of rhodium 9,10-phenanthrenediimine complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Lanthanide cation extraction by malonamide ligands: from liquid-liquid interfaces to microemulsions. A molecular dynamics study?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(III) assisted extraction

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Complexation of lanthanides(III), americium(III), and uranium(VI) with bitopic N,O ligands: an experimental and theoretical study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Europium(III) and its halides in anhydrous room-temperature imidazolium-based ionic liquids: a combined TRES, EXAFS, and molecular dynamics study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

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.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Lanthanides and Actinides in Ionic Liquids

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

The coordination chemistry of actinides in ionic liquids: A review of experiment and simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Structure and dynamics of hydrated ions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

MOLCAS: a program package for computational chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

Nature of the5fstates in actinide metals

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200572

21 January 2018

Identifiers

DOI

10.1002/CHEM.201200572

1 reference

27 August 2017

1 reference