Lars Goerigk

34PUBLICATIONS
45CO-AUTHORS
Computational chemistryOrganic semiconductorsTheoretical quantum chemistryMain group metal chemistryOptical properties of materials
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Publications (34)

|Jun 16, 2026
The extended "family" of B97-based density functional approximations: a comprehensive overview for DFT users and developers.

|Aug 07, 2025
Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.

Peter W McDonald, Lars Goerigk, Chris Ritchie

|Jul 02, 2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation.

Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi

|Jan 06, 2025
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility.

I Haseena Ismail, Marcus J Giansiracusa, Robert W Gable

|Oct 16, 2024
Putting the squeeze on valence tautomerism in cobalt-dioxolene complexes.

Aston Summers, F Zahra M Zahir, Gemma F Turner

|Sep 24, 2024
Exploring non-covalent interactions in excited states: beyond aromatic excimer models.

Ariel C Jones, Lars Goerigk

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Frequent Collaborators

5 joint publications

Chris Ritchie

5 joint publications

Marcos Casanova-Páez

4 joint publications

Colette Boskovic

4 joint publications

Asim Najibi