M. Trumm

发表

Towards the origin of effective An(III)/Ln(III) separation by tridentate N-donor ligands: a theoretical study on atomic charges and polarisabilities for Cm(III)/Gd(III) separation

B. Schimmelpfennig, M. Trumm, 2016 .

Experimental and numerical investigations on the effect of fracture geometry and fracture aperture distribution on flow and solute transport in natural fractures.

F. Huber, F. Enzmann, A. Wenka, 2019, Journal of contaminant hydrology.

The complexation of Cm(III) with oxalate in aqueous solution at T = 20-90 °C: a combined TRLFS and quantum chemical study.

M. Maiwald, P. Panak, M. Trumm, 2015, Inorganic chemistry.

Do An(iii) and Ln(iii) ions form heteroleptic complexes with diglycolamide and hydrophilic BT(B)P ligands in solvent extraction systems? A spectroscopic and DFT study

B. Schimmelpfennig, A. Geist, C. Wagner, 2019, New Journal of Chemistry.

Activation of the Aromatic Core of 3,3′-(Pyridine-2,6-diylbis(1H-1,2,3-triazole-4,1-diyl))bis(propan-1-ol)—Effects on Extraction Performance, Stability Constants, and Basicity

A. Casnati, M. Mariani, A. Geist, 2019, Inorganic chemistry.

Spectroscopic investigation of the different complexation and extraction properties of diastereomeric diglycolamide ligands

A. Geist, P. Panak, M. Trumm, 2022, Radiochimica Acta.

Trivalent Actinide Ions Showing Tenfold Coordination in Solution.

Tobias M. H. Schenk, B. Schimmelpfennig, A. Geist, 2020, Inorganic chemistry.

Pu(iii) and Cm(iii) in the presence of EDTA: aqueous speciation, redox behavior, and the impact of Ca(ii)

D. Reed, K. Dardenne, J. Rothe, 2022, RSC advances.

Thermodynamic and Structural Studies on the Ln(III)/An(III) Malate Complexation.

A. Roßberg, B. Drobot, T. Stumpf, 2019, Inorganic chemistry.

Incorporation of transuranium elements: coordination of Cm(iii) to human serum transferrin.

P. Panak, N. Adam, V. C. Smith, 2018, Dalton transactions.

Mechanisms and Kinetics of Citrate-Promoted Dissolution of a Uranyl Phosphate Mineral

A. Rao, L. Murdoch, Fengjiao Liu, 2021, Geochimica et Cosmochimica Acta.

4,4'-Di-tert-butyl-6-(1H-tetrazol-5-yl)-2,2'-bipyridine: modification of a highly selective N-donor ligand for the separation of trivalent actinides from lanthanides.

M. Maiwald, A. Geist, P. Roesky, 2017, Dalton transactions.

2,6-Bis(5,6-diisopropyl-1,2,4-triazin-3-yl)pyridine: a highly selective N-donor ligand studied by TRLFS, liquid–liquid extraction and molecular dynamics

B. Schimmelpfennig, A. Geist, G. Modolo, 2016 .

Reactive transport modeling

B. Baeyens, T. Schäfer, V. Montoya, 2015 .

Further insights in the ability of classical nonadditive potentials to model actinide ion–water interactions

Bernd Schimmelpfennig, Valérie Vallet, Florent Réal, 2013, J. Comput. Chem..

Determination of thermodynamic functions and structural parameters of NpO2+ lactate complexes

M. Maiwald, P. Panak, K. Müller, 2020, New Journal of Chemistry.

Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.

Bernd Schimmelpfennig, Valérie Vallet, Florent Réal, 2012, The Journal of chemical physics.

The influence of polarity in binary solvent mixtures on the conformation of bis-triazinyl-pyridine in solution

B. Schimmelpfennig, M. Maiwald, P. Panak, 2018 .

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

B. Schimmelpfennig, P. Panak, U. Ekström, 2016, Physical chemistry chemical physics : PCCP.

Stoichiometry of An(iii)-DMDOHEMA complexes formed during solvent extraction.

A. Geist, P. Panak, M. Trumm, 2018, Dalton transactions.

Impact of rock fracture geometry on geotechnical barrier integrity – A numerical study

F. Huber, I. Neretnieks, L. Moreno, 2021 .

Complexation of Np(V) with the Dicarboxylates, Malonate, and Succinate: Complex Stoichiometry, Thermodynamic Data, and Structural Information.

A. Roßberg, M. Maiwald, P. Panak, 2021, Inorganic chemistry.

Speciation, thermodynamics and structure of Np(V) oxalate complexes in aqueous solution.

M. Maiwald, P. Panak, K. Dardenne, 2020, Dalton transactions.

A closer look on the coordination of soft nitrogen-donor ligands to Cm(iii): SO3-Ph-BTBP.

B. Schimmelpfennig, A. Geist, C. Wagner, 2016, Dalton transactions.

The Complexation of Cm(III) with Succinate Studied by Time-Resolved Laser Fluorescence Spectroscopy and Quantum Chemical Calculations.

P. Panak, M. Trumm, A. Skerencak-Frech, 2016, Inorganic chemistry.

Structure and separation quality of various N- and O-donor ligands from quantum-chemical calculations

B. Schimmelpfennig, A. Geist, M. Trumm, 2015 .

Coordination and Thermodynamics of Trivalent Curium with Malonate at Increased Temperatures: A Spectroscopic and Quantum Chemical Study.

P. Panak, M. Trumm, A. Skerencak-Frech, 2017, Inorganic chemistry.

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

B. Schimmelpfennig, J. Flament, M. Masella, 2010, The journal of physical chemistry. B.

Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study

X. Gaona, M. Trumm, A. Schnurr, 2022, Molecular Physics.

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

B. Schimmelpfennig, P. Panak, U. Ekström, 2016, Physical chemistry chemical physics : PCCP.