Lars Goerigk

The University of Melbourne — Australia

Physics and Astronomy · Physical Sciences

41h-index37.2kcitations153works2.62yr avg
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Research Topics

Advanced Chemical Physics Studies(46), Spectroscopy and Quantum Chemical Studies(31), Machine Learning in Materials Science(27), X-ray Diffraction in Crystallography(26), Photochemistry and Electron Transfer Studies(25)

Publications153 total

Spin Crossover in a Fe(II) Complex with a Radical Iminosemiquinonate Ligand
2026Open Access
Rare-gas excimers and exciplexes: Surprising challenges for time-dependent Density Functional Theory approaches
Polyhedron·2025Open Access
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
2025Open Access
Author response for "Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation"
2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
2025Open Access
Author response for "Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation"
2025
Spin-scaled double hybrids with range-separation solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
2025Open Access
Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility
Inorganic Chemistry·2025· 3 cited
Showcasing physical chemistry research in Australia and New Zealand – a vital nexus of innovation and opportunity
Physical Chemistry Chemical Physics·2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation
RSC Advances·2025· 1 citedOpen Access
Rare-Gas Excimers and Exciplexes: Surprising Challenges for Time-Dependent Density Functional Theory Approaches
SSRN Electronic Journal·2025Open Access
Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts
Chemical Science·2025· 4 citedOpen Access
Putting the squeeze on valence tautomerism in cobalt-dioxolene complexes
Nature Communications·2024· 11 citedOpen Access
Exploring non-covalent interactions in excited states: beyond aromatic excimer models
2024Open Access
Putting the Squeeze on Valence Tautomerism in Cobalt-Dioxolene Complexes
2024Open Access
Putting the Squeeze on Valence Tautomerism in Cobalt-Dioxolene Complexes
2024· 1 citedOpen Access
How do spin‐scaled double hybrids designed for excitation energies perform for noncovalent excited‐state interactions? An investigation on aromatic excimer models
Journal of Computational Chemistry·2024· 7 citedOpen Access
How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models
2024· 1 citedOpen Access
How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models
2024Open Access
Fluorescence modulation of pyridinium betaines: a mechanofluorochromic investigation
Journal of Materials Chemistry C·2024· 6 cited
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Frequent Co-authors

Stefan Grimme(18), Marcos Casanova‐Páez(7), Asim Najibi(5), Holger Kruse(5), Nisha Mehta(3), Jeffrey R. Reimers(3), Leo Radom(3), Chris Ritchie(3), Stephan Ehrlich(2), Gerhard Erker(2), Amir Karton(2), Jingjing Xu(2), Roger J. Mulder(2), Dominique A. Wappett(2), Saghar Masoomi‐Godarzi(2), Maning Liu(2), Yasuhiro Tachibana(2), Kenneth P. Ghiggino(2), Trevor A. Smith(2), David J. Jones(2)