Publications by authors named "Robert Polly"

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The Role of Ion Size and π-Interaction in Stabilizing Calix[4]arene Crown Ether Metal Complexes.
Thomas Sittel, Karolin Becker, Robert Polly, Udo Müllich, Andreas Geist

Chemistry· July 2025

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Speciation of Tc-Gluconate Complexes in Aqueous Systems.
Robert Polly, Kathy Dardenne, Sarah Duckworth, Xavier Gaona, Tim Pruessmann

Inorg Chem· March 2025

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Cm(III) speciation in the presence of citrate from neutral to hyperalkaline conditions and the effect of calcium.
Matthew B Comins, Chengming Shang, Robert Polly, Andrej Skerencak-Frech, Marcus Altmaier

Chemosphere· September 2024

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Bonding and Interactions in UO for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations.
Paul S Bagus, Connie J Nelin, Bianca Schacherl, Tonya Vitova, Robert Polly

J Phys Chem A· September 2024

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Experimental and computational evidence of U(VI)-OH-Si(OH) complexes under alkaline conditions: Implications for cement systems.
Chengming Shang, Xavier Gaona, Hanna Oher, Robert Polly, Andrej Skerencak-Frech

Chemosphere· February 2024

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Retention of Iodide by Chloride Green Rust and Magnetite.
Tim Platte, Nicolas Finck, Frank Heberling, Robert Polly, Tim Prüßmann

Environ Sci Technol· June 2023

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Relativistic Multiconfigurational Calculation of Uranyl 3d4f Resonant Inelastic X-ray Scattering.
Robert Polly, Bianca Schacherl, Jörg Rothe, Tonya Vitova

Inorg Chem· December 2021

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A Combined Study of Tc Redox Speciation in Complex Aqueous Systems: Wet-Chemistry, Tc K-/L-Edge X-ray Absorption Fine Structure, and Ab Initio Calculations.
Kathy Dardenne, Sarah Duckworth, Xavier Gaona, Robert Polly, Bernd Schimmelpfennig

Inorg Chem· August 2021

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Retention of Iodide and Chloride by Formation of a Green Rust Solid Solution GR-ClI: A Multiscale Approach.
Tim Platte, Nicolas Finck, Stefan Mangold, Robert Polly, Horst Geckeis

Inorg Chem· July 2021

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Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System.
Katharina Müller, Harald Foerstendorf, Robin Steudtner, Satoru Tsushima, Michael U Kumke, Robert Polly

ACS Omega· May 2019

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Fate of Lu(III) sorbed on 2-line ferrihydrite at pH 5.7 and aged for 12 years at room temperature. II: insights from STEM-EDXS and DFT calculations.
Tadahiro Yokosawa, Eric Prestat, Robert Polly, Muriel Bouby, Kathy Dardenne

Environ Sci Pollut Res Int· February 2019

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Uranium Redox Transformations after U(VI) Coprecipitation with Magnetite Nanoparticles.
Ivan Pidchenko, Kristina O Kvashnina, Tadahiro Yokosawa, Nicolas Finck, Sebastian Bahl, Robert Polly

Environ Sci Technol· February 2017

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Thermodynamic description of Tc(iv) solubility and hydrolysis in dilute to concentrated NaCl, MgCl2 and CaCl2 solutions.
Ezgi Yalçıntaş, Xavier Gaona, Marcus Altmaier, Kathy Dardenne, Robert Polly

Dalton Trans· June 2016

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Influence of hydrogen bonding on the structure of the (001) corundum-water interface. Density functional theory calculations and Monte Carlo simulations.
Jiří Janeček, Roland R Netz, Mathias Flörsheimer, Reinhardt Klenze, Bernd Schimmelpfennig, Robert Polly

Langmuir· March 2014

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Mineral-water interface reactions of actinides.
Horst Geckeis, Johannes Lützenkirchen, Robert Polly, Thomas Rabung, Moritz Schmidt

Chem Rev· February 2013

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Characterization and quantification of Sm(III)/ and Cm(III)/clay mineral outer-sphere species by TRLFS in D2O and EXAFS studies.
Eva Hartmann, Boris Brendebach, Robert Polly, Horst Geckeis, Thorsten Stumpf

J Colloid Interface Sci· January 2011

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Theoretical investigation of the water/corundum (0001) interface.
Robert Polly, Bernd Schimmelpfennig, Mathias Flörsheimer, Klaus Kruse, Ahmed AbdElmonem

J Chem Phys· February 2009

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Hydration of mineral surfaces probed at the molecular level.
Mathias Flörsheimer, Klaus Kruse, Robert Polly, Ahmed Abdelmonem, Bernd Schimmelpfennig

Langmuir· December 2008

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Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory.
Robert Polly, Hans-Joachim Werner, Pål Dahle, Peter R Taylor

J Chem Phys· June 2006

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Analysis of the errors in explicitly correlated electronic structure theory.
Andrew J May, Edward Valeev, Robert Polly, Frederick R Manby

Phys Chem Chem Phys· July 2005

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