Differential Solvation

Theoretical investigation of low-valent uranium and transuranium complexes of a flexible small-cavity macrocycle: structural, formation reaction and redox properties

(2016) Zhe Bao et al.   DALTON TRANSACTIONS

A computational investigation of polypyrrolic macrocyclic actinyl complexes: effects of explicit solvent coordination on structure, vibrational spectra and redox property

(2016) Ning Qu et al.   THEORETICAL CHEMISTRY ACCOUNTS

Highly Valence-Diversified Binuclear Uranium Complexes of a Schiff-Base Polypyrrolic Macrocycle: Prediction of Unusual Structures, Electronic Properties, and Formation Reactions

(2015) Jun Yao et al.   INORGANIC CHEMISTRY

Uranium(III) Coordination Chemistry and Oxidation in a Flexible Small-Cavity Macrocycle

(2015) Polly L. Arnold et al.   ORGANOMETALLICS

Uranium(VI) Chemistry in Strong Alkaline Solution: Speciation and Oxygen Exchange Mechanism

(2014) Henry Moll et al.   INORGANIC CHEMISTRY

Oxo-Exchange of Gas-Phase Uranyl, Neptunyl, and Plutonyl with Water and Methanol

(2014) Ana F. Lucena et al.   INORGANIC CHEMISTRY

Computational electrochemistry: prediction of liquid-phase reduction potentials

(2014) Aleksandr V. Marenich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemical Speciation of Neptunium(VI) under Strongly Alkaline Conditions. Structure, Composition, and Oxo Ligand Exchange

(2013) David L. Clark et al.   INORGANIC CHEMISTRY

Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl–Rare Earth 5f1-4fn Complexes

(2013) Polly L. Arnold et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conformational Preference of Fused Carbohydrate-Templated Proline Analogues—A Computational Study

(2012) Robel B. Teklebrhan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interactions of the N3 dye with the iodide redox shuttle: quantum chemical mechanistic studies of the dye regeneration in the dye-sensitized solar cell

(2011) Abu Md Asaduzzaman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

On the Mechanism of Oxygen Exchange Between Uranyl(VI) Oxygen and Water in Strongly Alkaline Solution as Studied by17O NMR Magnetization Transfer

(2010) Zoltán Szabó et al.   INORGANIC CHEMISTRY

Oxygen Exchange in Uranyl Hydroxide via Two “Nonclassical” Ions

(2010) Michael Bühl et al.   INORGANIC CHEMISTRY

Computational Studies of Structural, Electronic, Spectroscopic, and Thermodynamic Properties of Methylmercury-Amino Acid Complexes and Their Se Analogues

(2010) Abu Md. Asaduzzaman et al.   INORGANIC CHEMISTRY

Intramolecular Hydrogen Bond-Controlled Prolyl Amide Isomerization in Glucosyl 3(S)-Hydroxy-5-hydroxymethylproline Hybrids: A Computational Study

(2010) Robel B. Teklebrhan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Uranyl oxo activation and functionalization by metal cation coordination

(2010) Polly L. Arnold et al.   Nature Chemistry

Theoretical Actinide Molecular Science

(2009) Georg Schreckenbach et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Universal Approach to Solvation Modeling

(2008) Christopher J. Cramer et al.   ACCOUNTS OF CHEMICAL RESEARCH

Computational Density Functional Study of Polypyrrolic Macrocycles: Analysis of Actinyl-Oxo to 3d Transition Metal Bonding

(2008) Joel J. Berard et al.   INORGANIC CHEMISTRY

Crown Ether Inclusion Complexes of the Early Actinide Elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu andn= 1, 2: A Relativistic Density Functional Study

(2008) Grigory A. Shamov et al.   INORGANIC CHEMISTRY

Theoretical Study of the Oxygen Exchange in Uranyl Hydroxide. An Old Riddle Solved?

(2008) Grigory A. Shamov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reduction and selective oxo group silylation of the uranyl dication

(2008) Polly L. Arnold et al.   NATURE