Lars Goerigk

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 32

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Chemical science

Journal of computational chemistry

University of Melbourne

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Melbourne Sep 01 2019

Australia

Senior Lecturer (tenured) :: School of Chemistry

University of Melbourne Jun 06 2016 - Aug 31 2019

Australia

Lecturer (tenure-track) :: School of Chemistry

University of Melbourne - Apr 14 2017

Australia

ARC DECRA Research Fellow :: School of Chemistry

University of Sydney

Australia

Postdoctoral Fellow with Prof. Jeffrey R. Reimers :: School of Chemistry

Westfalische Wilhelms Universität Munster

Germany

Postdoctoral Fellow with Prof. Stefan Grimme :: Organic-Chemical Institute

Publications

Amy C Hancock, Erica Giudici, Lars Goerigk
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 45 (19) (2024)
F Zahra M Zahir, Moya A Hay, Jett T Janetzki, Robert William Gable, Lars Goerigk, Colette Boskovic
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent. Chemical science 15 (15) (2024)
F Zahra M Zahir, Moya A Hay, Jett T Janetzki, Robert William Gable, Lars Goerigk, Colette Boskovic
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent. Chemical science 15 (15) (2024)
F Zahra M Zahir, Moya A Hay, Jett T Janetzki, Robert William Gable, Lars Goerigk, Colette Boskovic
Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent. Chemical science 15 (15) (2024)
Amy C Hancock, Erica Giudici, Lars Goerigk
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)
Dominique A Wappett, Lars Goerigk
Exploring CPS-Extrapolated DLPNO-CCSD(T 1 ) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed Reactions. The journal of physical chemistry. A (2023)
Dominique A Wappett, Lars Goerigk
Exploring CPS-Extrapolated DLPNO-CCSD(T 1 ) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed Reactions. The journal of physical chemistry. A 128 (1) (2023)
Dale R Lonsdale, Lars Goerigk
One-electron self-interaction error and its relationship to geometry and higher orbital occupation. The Journal of chemical physics 158 (4) (2023)
Amy C Hancock, Lars Goerigk
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models. RSC advances 13 (51) (2023)
Dominique A Wappett, Lars Goerigk
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set. Journal of chemical theory and computation (2023)
Joshua Van Dijk, Marcos Casanova-Páez, Lars Goerigk
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations. ACS physical chemistry Au 2 (5) (2022)
Manjiri Choudhari, Jingjing Xu, Alasdair I McKay, Clément Guerrin, Craig M Forsyth, Howard Z Ma, Lars Goerigk, Richard A J O'Hair, Antoine Bonnefont, Laurent Ruhlmann, Stephane Aloise, Chris Ritchie
A photo-switchable molecular capsule: sequential photoinduced processes. Chemical science 13 (46) (2022)
Amy C Hancock, Lars Goerigk
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models. RSC advances 12 (21) (2022)
Manjiri Choudhari, Jingjing Xu, Alasdair I McKay, Clément Guerrin, Craig M Forsyth, Howard Z Ma, Lars Goerigk, Richard A J O'Hair, Antoine Bonnefont, Laurent Ruhlmann, Stephane Aloise, Chris Ritchie
A photo-switchable molecular capsule: sequential photoinduced processes. Chemical science 13 (46) (2022)
Joshua Van Dijk, Marcos Casanova-Páez, Lars Goerigk
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations. ACS physical chemistry Au 2 (5) (2022)
Robert W Elliott, Ashley L Sutton, Brendan F Abrahams, Deanna M D'Alessandro, Lars Goerigk, Carol Hua, Timothy A Hudson, Richard Robson, Keith F White
Multifunctional Coordination Polymer Exhibiting Reversible Mechanical Motion Allowing Selective Uptake of Guests and Leading to Enhanced Electrical Conductivity. Inorganic chemistry 60 (17) (2021)
Asim Najibi, Marcos Casanova-Páez, Lars Goerigk
Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions. The journal of physical chemistry. A 125 (18) (2021)
Jett T Janetzki, F Zahra M Zahir, Robert William Gable, Wasinee Phonsri, Keith S Murray, Lars Goerigk, Colette Boskovic
A Convenient DFT-Based Strategy for Predicting Transition Temperatures of Valence Tautomeric Molecular Switches. Inorganic chemistry 60 (18) (2021)
Nisha Mehta, Thomas Fellowes, Jonathan M White, Lars Goerigk
CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions? Journal of chemical theory and computation 17 (5) (2021)
Marcos Casanova-Páez, Lars Goerigk
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states". Journal of computational chemistry 42 (8) (2021)
Marcos Casanova-Páez, Lars Goerigk
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies. Journal of chemical theory and computation 17 (8) (2021)
Asim Najibi, Lars Goerigk
DFT-D4 counterparts of leading meta-generalized-gradient approximation and hybrid density functionals for energetics and geometries. Journal of computational chemistry 41 (30) (2020)
Dominique A Wappett, Lars Goerigk
Erratum to "Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and Insights". The journal of physical chemistry. A 124 (5) (2020)
Nisha Mehta, Brendan F Abrahams, Lars Goerigk
Clam-like Cyclotricatechylene-based Capsules: Identifying the Roles of Protonation State and Guests as well as the Drivers for Stability and (Anti-)Cooperativity. Chemistry, an Asian journal 15 (8) (2020)
Marcos Casanova-Páez, Michael B Dardis, Lars Goerigk
ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies. Journal of chemical theory and computation 15 (9) (2019)
Dominique A Wappett, Lars Goerigk
Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and Insights. The journal of physical chemistry. A 123 (32) (2019)
Amani Alhifthi, Benjamin L Harris, Lars Goerigk, Jonathan M White, Spencer J Williams
Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime. Organic & biomolecular chemistry 15 (47) (2018)
Asim Najibi, Lars Goerigk
The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches. Journal of chemical theory and computation 14 (11) (2018)
Jingjing Xu, Henrieta Volfova, Roger J Mulder, Lars Goerigk, Gary Bryant, Eberhard Riedle, Chris Ritchie
Visible-Light-Driven "On"/"Off" Photochromism of a Polyoxometalate Diarylethene Coordination Complex. Journal of the American Chemical Society 140 (33) (2018)
Asim Najibi, Lars Goerigk
A Comprehensive Assessment of the Effectiveness of Orbital Optimization in Double-Hybrid Density Functionals in the Treatment of Thermochemistry, Kinetics, and Noncovalent Interactions. The journal of physical chemistry. A 122 (25) (2018)
Tobias Schwabe, Lars Goerigk
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling. Journal of chemical theory and computation 13 (9) (2017)
Jingjing Xu, Bolong Zhang, Marina Jansen, Lars Goerigk, Wallace W H Wong, Chris Ritchie
Highly Fluorescent Pyridinium Betaines for Light Harvesting. Angewandte Chemie (International ed. in English) 56 (44) (2017)

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Publication Activity (10 Years)

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Lars Goerigk