Kathrin Helen Hopmann

23PUBLICATIONS
43CO-AUTHORS
Theoretical quantum chemistryMetal cluster chemistryOrganic chemical synthesisCharacterisation of biological macromoleculesElectronic and magnetic properties of condensed matter; superconductivity
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Publications (23)

|Dec 03, 2024
Advancing <sup>19</sup>F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular Dynamics.

Sahil Gahlawat, Kathrin H Hopmann, Abril C Castro

|Sep 13, 2024
Computational Study of the Ir-Catalyzed Formation of Allyl Carbamates from CO<sub>2</sub>.

Sahil Gahlawat, Markus Artelsmair, Abril C Castro

|Aug 15, 2024
Nickel Catalyzed Carbonylative Cross Coupling for Direct Access to Isotopically Labeled Alkyl Aryl Ketones.

Kim S Mühlfenzl, Vitus J Enemærke, Sahil Gahlawat

|Jun 26, 2024
Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO<sub>2</sub>: The Additives Affect the Product Selectivity.

Ljiljana Pavlovic, Bjørn Carvalho, Kathrin H Hopmann

|Mar 23, 2024
Efficient palladium-catalyzed electrocarboxylation enables late-stage carbon isotope labelling.

Gabriel M F Batista, Ruth Ebenbauer, Craig Day

|Jan 05, 2024
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark.

Anders Brakestad, Stig Rune Jensen, Christian Tantardini

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Frequent Collaborators

6 joint publications

Annette Bayer

4 joint publications

Ljiljana Pavlovic

3 joint publications

Janakiram Vaitla

3 joint publications

Hongyu Zhong