A/Prof Lars Goerigk
Associate Professor
School of Chemistry
95 Scholarly works
7 Projects
HIGHLIGHTS
2025
Journal article
Rare-gas excimers and exciplexes: Surprising challenges for time-dependent Density Functional Theory approaches
DOI: 10.1016/j.poly.2025.1176782025
Journal article
Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts
DOI: 10.1039/d5sc04257g2025
Journal article
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
DOI: 10.1039/d5ra01408e2025
Research contracts (non-grants)
Development of Quantum-Chemical Datasets and Benchmarks
2023
Research grants (ARC, NHMRC, MRFF)
Beyond Structure - Solving Conformational Dynamics for Intractable Proteins
2018
Research Grant
Mixed Valence Coordination Polymers and Their Electronic Properties
2017
Journal article
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
DOI: 10.1039/c7cp04913g
RECENT SCHOLARLY WORKS
2025
Journal article
Showcasing physical chemistry research in Australia and New Zealand - a vital nexus of innovation and opportunity
DOI: 10.1039/d5cp90032h2025
Journal article
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility
DOI: 10.1021/acs.inorgchem.4c046902024
Journal article
Fluorescence modulation of pyridinium betaines: a mechanofluorochromic investigation
DOI: 10.1039/d4tc04290e2024
Journal article
Putting the squeeze on valence tautomerism in cobalt-dioxolene complexes
DOI: 10.1038/s41467-024-53311-42024
Journal article
Exploring non-covalent interactions in excited states: beyond aromatic excimer models
DOI: 10.1039/d4cp03214d2024
Journal article
How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models
DOI: 10.1002/jcc.273512024
Journal article
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent
DOI: 10.1039/d3sc04493a
RECENT PROJECTS
2025
Research contracts (non-grants)
Azure Cloud Workload Acceleration Agreement