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Mario Wolter

10PUBLICATIONS

23CO-AUTHORS

Theoretical quantum chemistryChemical and thermal processes in energy and combustionEnergy-efficient computingNonlinear optics and spectroscopyRadiation and matter

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Publications (10)

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|Feb 23, 2026

Benchmarking of vibrational exciton models against quantum-chemical localized-mode calculations.

Anna M van Bodegraven, Kevin Focke, Mario Wolter

|Oct 03, 2024

Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase.

Felix Kaspar, Lea Eilert, Sophie Staar

|Apr 30, 2024

Interoperable workflows by exchanging grid-based data between quantum-chemical program packages.

Kevin Focke, Matteo De Santis, Mario Wolter

|Oct 09, 2023

Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra.

Julia Brüggemann, Maria Chekmeneva, Mario Wolter

|May 12, 2023

A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions.

Johannes R Vornweg, Mario Wolter, Christoph R Jacob

|Dec 31, 2022

Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI.

Julia Brüggemann, Mario Wolter, Christoph R Jacob

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Frequent Collaborators

10 joint publications

Christoph R Jacob

3 joint publications

Johannes Vornweg

2 joint publications

Wulf Blankenfeldt

2 joint publications

Anett Schallmey

2 joint publications

Julia Brüggemann

2 joint publications

Kevin Focke

1 joint publications

Felix Brandt

1 joint publications

Marcel M Willich

1 joint publications

Stefanie Schürmann

1 joint publications

Maria Chekmeneva

Frequent Collaborators

10 joint publications

Christoph R Jacob

3 joint publications

Johannes Vornweg

2 joint publications

Wulf Blankenfeldt

2 joint publications

Anett Schallmey

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