Max-Planck-Institut für Kohlenforschung

Publications of Emily M. Kempfer

All genres

Journal Article (1)

2025

Journal Article

Kempfer, E. M.; Sivalingam, K.; Neese, F. Efficient Implementation of Approximate Fourth Order N-Electron Valence State Perturbation Theory. Journal of Chemical Theory and Computation 2025, 21, 3953–3967.

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Other Interesting Articles

Computational quantum chemistry for novel catalysts

Computational quantum chemistry for novel catalysts

April 28, 2025

Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.

An exotic monovalent carbon compound

An exotic monovalent carbon compound

February 24, 2025

A collaboration between TU Dortmund and the Pantazis group uncovers a new type of organic compound featuring a neutral, singly-bonded carbon atom

The Mülheim Chemistry Campus honors early career scientists with Ernst Haage Awards

The Mülheim Chemistry Campus honors early career scientists with Ernst Haage Awards

November 16, 2023

The symposium highlighted concepts of sustainable chemistry and exceptional scientific talents

The figure depicts a cubic pore of the novel metal-organic framework (MOF) that was designed to mimic the enzyme taurine–α-ketoglutarate dioxygenase. The inset focuses on a cluster node of the MOF, showing the local iron site environment. The figure also shows one of the important reactions investigated in the paper, the oxidation of ethane to ethanol and acetaldehyde.

How lab-made catalysts can help to get a grip on difficult greenhouse gases

November 07, 2023

International team of researchers publish their findings with “Science”

Dimitrios Pantazis is group leader at the institute.

Pantazis is the new Vice-President of QBIC

October 27, 2023

Dr. Dimitrios Pantazis, group leader at the Max-Plack-Institut für Kohlenforschung, has been elected as new Vice-President of the QBIC Society.

Doctoral award of the RESOLV Cluster of Excellence 2021

Doctoral award of the RESOLV Cluster of Excellence 2021

March 28, 2022

Former doctoral student of the Department of Molecular Theory and Spectroscopy received the award

<p align="left">Discovery of a new catalytic intermediate in biological water oxidation</p>

Discovery of a new catalytic intermediate in biological water oxidation

December 16, 2020