Stefan M. Kast

Technische Universität Dortmund

Germany

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Articles (15)

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2025

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2025

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2025

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2025

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2025

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2024

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2023

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2021

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2021

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2021

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2021

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2021

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2021

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2020

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2020

Collaborators (6)

Hans Robert Kalbitzer

Max-Planck-Institut für biophysikalische Chemie

GERMANY

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Laura Galazzo

Ruhr-Universität Bochum

GERMANY

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Ricardo Mata

Junior Professor

University of Göttingen

GERMANY

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Carlo Ballatore

Professor

University of California, San Diego

UNITED STATES

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Andreas Brunschweiger

Technische Universität Dortmund

GERMANY

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Enrica Bordignon

Prof.

University of Geneva

SWITZERLAND

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Stefan M. Kast

Research Interests

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Articles (15)

The euroSAMPL1 pKa blind prediction and reproducible research data management challenge

Origin of the pH Dependency of EPR Parameters: The Case of a Protonatable Nitroxide in Aqueous Solution

Solvent‐Controlled Separation of Integratively Self‐Sorted Pd2LA2LB2 Coordination Cages

Solvent‐Controlled Separation of Integratively Self‐Sorted Pd2LA2LB2 Coordination Cages

Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution

The accuracy limit of chemical shift predictions for species in aqueous solution

Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water.

Chemically Stabilized DNA Barcodes for DNA‐Encoded Chemistry

Chemisch stabilisierte DNA‐Codes für DNA‐kodierte Chemie

SAMPL7 physical property prediction from EC-RISM theory

Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge

Quantum–mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?

The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory

Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet

Collaborators (6)

Hans Robert Kalbitzer

Laura Galazzo

Ricardo Mata

Carlo Ballatore

Andreas Brunschweiger

Enrica Bordignon

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