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Tim Kowalczyk

11PUBLICATIONS

55CO-AUTHORS

Electrical circuits and systemsComputational chemistryOrganometallic chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Free radical chemistry

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Publications (11)

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|Dec 13, 2025

A Restriction-Based Configuration Interaction Approach Based on LC-DFTB: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems.

Ji Huang, Tim Kowalczyk, Yoshio Nishimoto

|Jun 06, 2025

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.

B Hourahine, M Berdakin, J A Bich

|Feb 19, 2025

Intermolecular N-N Coupling of a Dinitrosyl Iron Complex Induced by Hydrogen Bond Donors in the Secondary Coordination Sphere.

Kayla M Fugami, Gabriel S Black, Tim Kowalczyk

|May 09, 2024

Simulation of interlayer coupling for electroactive covalent organic framework design.

Tanner M Leo, Megan Robbins, Alana Sullivan

|Sep 05, 2023

Sequential Deoxygenation of CO<sub>2</sub> and NO<sub>2</sub><sup>-</sup> via Redox-Control of a Pyridinediimine Ligand with a Hemilabile Phosphine.

Hanalei R Lewine, Allison G Teigen, April M Trausch

|Apr 08, 2023

Electronic transition dipole moments from time-independent excited-state density-functional tight-binding.

Megan Y Deshaye, Alex T Wrede, Tim Kowalczyk

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Frequent Collaborators

3 joint publications

John D Gilbertson

3 joint publications

Stephan Irle

2 joint publications

B Hourahine

2 joint publications

B Aradi

2 joint publications

A M N Niklasson

2 joint publications

C Camacho

2 joint publications

T Niehaus

2 joint publications

S Ehlert

2 joint publications

T van der Heide

2 joint publications

S K Min

Frequent Collaborators

3 joint publications

John D Gilbertson

3 joint publications

Stephan Irle

2 joint publications

B Hourahine

2 joint publications

B Aradi

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