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[45Ti]Ti-DOTA: En route towards aza-macrocyclic 45Ti-based radiopharmaceuticals

Tamal Roy, Eduard Pogorilyy, Chubina Pathma Kumarananthan, Unni Augestad Kvitastein, Marco Foscato, Karl Wilhelm Törnroos, Tom Christian Holm Adamsen, Erwan Le Roux

Version 3 posted 24 April 2024

349

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Physical Chemistry

Working Paper

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Samuel Tovey, Anand Narayanan Krishnamoorthy, ganesh sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm

Version 1 posted 22 May 2020

972

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Physical Chemistry

Working Paper

Grand-reaction method for simulations of ionization equilibria coupled to ion partitioning

Jonas Landsgesell, Oleg Rud, Pascal Hebbeker, Raju Lunkad, Peter Košovan, Christian Holm

Version 4 posted 19 March 2020

1,591

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Physical Chemistry

Working Paper

Can Oppositely Charged Polyelectrolyte Stars Form a Gel? A Simulational Study

Andrea Tagliabue, Jonas Landsgesell, Massimo Mella, Christian Holm

Version 1 posted 17 September 2020

485

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Physical Chemistry

Working Paper

Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations of PEG-water mixtures

Simon Gravelle, David Beyer, Mariano Brito, Alexander Schlaich, Christian Holm

Version 4 posted 02 June 2023

744

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Physical Chemistry

Working Paper

NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations

Simon Gravelle, Sabina Haber-Pohlmeier, Carlos Mattea, Siegfried Stapf, Christian Holm, Alexander Schlaich

Version 1 posted 02 January 2023

442

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Physical Chemistry

Working Paper

A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems

Ingo Tischler, Florian Weik, Robert Kaufmann, Michael Kuron, Rudolf Weeber, Christian Holm

Version 3 posted 30 May 2022

450

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Physical Chemistry

Working Paper

Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks

David Beyer, Peter Košovan, Christian Holm

Version 3 posted 04 November 2022

754

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Physical Chemistry

Working Paper

Bulk Ionic Screening Lengths from Extremely Large-Scale Molecular Dynamics Simulations

Johannes Zeman, Svyatoslav Kondrat, Christian Holm

Version 1 posted 12 November 2020

430

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Physical Chemistry

Working Paper

The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan, Christian Holm

Version 2 posted 08 February 2022

673

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16 results in Christian Holm in Authors: Christian Holm

[45Ti]Ti-DOTA: En route towards aza-macrocyclic 45Ti-based radiopharmaceuticals

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Grand-reaction method for simulations of ionization equilibria coupled to ion partitioning

Can Oppositely Charged Polyelectrolyte Stars Form a Gel? A Simulational Study

Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations of PEG-water mixtures

NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations

A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems

Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks

Bulk Ionic Screening Lengths from Extremely Large-Scale Molecular Dynamics Simulations

The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

16 results in Authors: Christian Holm