Electronic structure and bonding of lanthanoid(iii) carbonates

Hydration of Lanthanoids(III) and Actinoids(III): An Experimental/Theoretical Saga

(2012) Paola D'Angelo et al.   CHEMISTRY-A EUROPEAN JOURNAL

Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium

(2012) Juan Diwu et al.   INORGANIC CHEMISTRY

Unravelling the Hydration Structure of ThX4 (X = Br, Cl) Water Solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy

(2012) Riccardo Spezia et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Differentiating between Trivalent Lanthanides and Actinides

(2012) Matthew J. Polinski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relativistic Pseudopotentials: Their Development and Scope of Applications

(2011) Michael Dolg et al.   CHEMICAL REVIEWS

Lanthanide Carbonates

(2011) Rafał Janicki et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

(2011) Gaelle Dupouy et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Water Exchange of a ProHance MRI Contrast Agent: Isomer-Dependent Free-Energy Landscapes and Mechanisms

(2011) Rodolphe Pollet et al.   INORGANIC CHEMISTRY

Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution

(2011) Paola D’Angelo et al.   INORGANIC CHEMISTRY

[An(H2O)9](CF3SO3)3 (An=U-Cm, Cf): Exploring Their Stability, Structural Chemistry, and Magnetic Behavior by Experiment and Theory

(2010) Christos Apostolidis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La3+

(2010) Cyril Terrier et al.   JOURNAL OF CHEMICAL PHYSICS

Hydration of Lanthanide Chloride Salts: A Quantum Chemical and Classical Molecular Dynamics Simulation Study

(2010) Cesar Beuchat et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular modeling of the octacoordinated tetracarbonato-Nd(III), [Nd(CO3)4]5−, complex and its nonacoordinated fluoro- and aquo-adducts

(2010) S.P. Sinha et al.   JOURNAL OF RARE EARTHS

Evidence of Different Stoichiometries for the Limiting Carbonate Complexes across the Lanthanide(III) Series

(2010) V. Philippini et al.   JOURNAL OF SOLUTION CHEMISTRY

On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters

(2010) Pere Miró et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) Magali Duvail et al.   JOURNAL OF CHEMICAL PHYSICS

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Dynamic Model to Explain Hydration Behaviour along the Lanthanide Series

(2008) Magali Duvail et al.   CHEMPHYSCHEM

Evidence of different stoichiometries for the limiting carbonate complexes across the lanthanide(III) series: A capillary electrophoresis-mass spectrometry study

(2008) Violaine Philippini et al.   ELECTROPHORESIS

On the origin of the trans-influence in square planar d8-complexes: A theoretical study

(2008) Mariusz P. Mitoraj et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Bond Multiplicity in Transition-Metal Complexes: Applications of Two-Electron Valence Indices

(2008) Artur Michalak et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Dynamics Study of the Coordination Sphere of Trivalent Lanthanum in a Highly Concentrated LiCl Aqueous Solution: a Combined Classical and Ab Initio Approach

(2008) L. Petit et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nuclear Spin Relaxation Parameters of MRI Contrast Agents – Insight from Quantum Mechanical Calculations

(2007) Oleg V. Yazyev et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY