Lars Goerigk

37.7k citations

76 papers · 29.8k indexed · 6 hit papers · h-index 35

Impact in

Physical and Theoretical Chemistry top 0.05%
- Crystallography and molecular interactions
- Photochemistry and Electron Transfer Studies
Inorganic Chemistry top 0.1%

Papers in

Physical and Theoretical Chemistry 24
- Photochemistry and Electron Transfer Studies 16
- Crystallography and molecular interactions 8
Atomic and Molecular Physics, and Optics 39
- Advanced Chemical Physics Studies 34
- Spectroscopy and Quantum Chemical Studies 17

Co-authors: Stefan Grimme Stephan Ehrlich Asim Najibi Holger Kruse Christoph Bauer Andreas Hansen Marcos Casanova‐Páez Gerhard Erker
Journals: Journal of Chemical Theory and Computation (11 papers)Physical Chemistry Chemical Physics (9 papers)The Journal of Physical Chemistry A (6 papers)Journal of Computational Chemistry (5 papers)Angewandte Chemie International Edition (3 papers)
Partner nations: Australia Germany China

In The Last Decade

Lars Goerigk

75 papers receiving 29.6k citations

Hit Papers

6 papers align trajectories log scale

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions 2017 · 1.4k citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2017 Physical Chemistry Chemical Physics
2014 Wiley Interdisciplinary Reviews Computational Molecular Science
2012 The Journal of Organic Chemistry
2011 Journal of Computational Chemistry
2011 Physical Chemistry Chemical Physics
2010 Journal of Chemical Theory and Computation

Peers

Countries citing papers authored by Lars Goerigk

Since Specialization

Citations

This map shows the geographic impact of Lars Goerigk's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Lars Goerigk with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Lars Goerigk more than expected).

Fields of papers citing papers by Lars Goerigk

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Lars Goerigk. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Lars Goerigk. The network helps show where Lars Goerigk may publish in the future.

Co-authors

The 25 scholars most cited alongside Lars Goerigk, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Lars Goerigk Line = papers co-authored together Lars Goerigk links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility Inorganic Chemistry ·Srivathshan S K., Marcus J. Giansiracusa, Robert W. Gable, Lars Goerigk, Colette Boskovic	2025	1
2	Fluorescence modulation of pyridinium betaines: a mechanofluorochromic investigation Journal of Materials Chemistry C ·A. Fiorentini, Jingjing Xu, 岩井善郎, Isabelle Jones, マサルイノオ, A S. Oei, Stéphane Aloïse, Andrew D. Scully, Clémence Allain, Laurence Bodelot, Stephen A. Moggach, Toby D. M. Bell, Rémi Métivier, Sebastian G. B. Furness, Lars Goerigk, Chris Ritchie	2024	3
3	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 ·В В Геогджаев, 律子菊川, Lars Goerigk	2024	3
4	Predicting valence tautomerism in diverse cobalt–dioxolene complexes: elucidation of the role of ligands and solvent Chemical Science ·Mitsukura, Moya A. Hay, Cosmina Cheran, Robert W. Gable, Lars Goerigk, Colette Boskovic	2024	11
5	Electrical conductivity and DFT investigations of a 2D Cu^I-TCNQ^II− framework Journal of Materials Chemistry C ·Ashley L. Sutton, Brendan F. Abrahams, María Estévez, Hyesu Jo, Lars Goerigk, Simon G. Hardin, Timothy A. Hudson, Richard Robson	2023	1
6	One-electron self-interaction error and its relationship to geometry and higher orbital occupation The Journal of Chemical Physics ·岩井善郎, Lars Goerigk	2023	4
7	Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set Journal of Chemical Theory and Computation ·M. Vieillot, Lars Goerigk	2023	27
8	Exploring CPS-Extrapolated DLPNO–CCSD(T ₁ ) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed Reactions The Journal of Physical Chemistry A ·M. Vieillot, Lars Goerigk	2023	6
9	A photo-switchable molecular capsule: sequential photoinduced processes Chemical Science ·S. Chen, Jingjing Xu, Alasdair I. McKay, Elham Peisepar, Craig M. Forsyth, Emily Klingbeil, Lars Goerigk, Richard A. J. O’Hair, Marthine Meum, Laurent Ruhlmann, Stéphane Aloïse, Chris Ritchie	2022	4
10	A Convenient DFT-Based Strategy for Predicting Transition Temperatures of Valence Tautomeric Molecular Switches Inorganic Chemistry ·Cosmina Cheran, Mitsukura, Robert W. Gable, Wasinee Phonsri, Keith S. Murray, Lars Goerigk, Colette Boskovic	2021	17
11	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 ·Asim Najibi, Marcos Casanova‐Páez, Lars Goerigk	2021	33
12	Multifunctional Coordination Polymer Exhibiting Reversible Mechanical Motion Allowing Selective Uptake of Guests and Leading to Enhanced Electrical Conductivity Inorganic Chemistry ·Tamer Cavusgil, Ashley L. Sutton, Brendan F. Abrahams, Deanna M. D’Alessandro, Lars Goerigk, Carol Hua, Timothy A. Hudson, Richard Robson, Keith F. White	2021	6
13	DFT ‐D4 counterparts of leading meta‐ generalized‐gradient approximation and hybrid density functionals for energetics and geometries Journal of Computational Chemistry ·Asim Najibi, Lars Goerigk	2020	106
14	Structures and Magnetism of Cationic Chromium–Manganese Bimetallic Oxide Clusters The Journal of Physical Chemistry C ·Le Nhan Pham, C. N. van Dijk, A. Kirilyuk, Lars Goerigk, Minh Tho Nguyen, Ewald Janssens	2020	2
15	The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems Physical Chemistry Chemical Physics ·岩井善郎, Lars Goerigk	2020	31
16	Semi-empirical or non-empirical double-hybrid density functionals: which are more robust? Physical Chemistry Chemical Physics ·Nisha Mehta, Marcos Casanova‐Páez, Lars Goerigk	2018	112
17	Photophysical insights and guidelines for blue “turn‐on” fluorescent probes for the direct detection of nitric oxide (NO^•) in biological systems Journal of Physical Organic Chemistry ·潮福島, Larry H. Addington, Carl H. Schiesser, Lars Goerigk, Uta Wille	2018	7
18	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 ·Asim Najibi, Lars Goerigk	2018	20
19	Solution‐Processable, Solid State Donor–Acceptor Materials for Singlet Fission Advanced Energy Materials ·Carmen L García Mata, Maning Liu, Yasuhiro Tachibana, Lars Goerigk, Kenneth P. Ghiggino, Trevor A. Smith, David J. Jones	2018	25
20	Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling Journal of Chemical Theory and Computation ·Tobias Schwabe, Lars Goerigk	2017	63

About Lars Goerigk

Lars Goerigk is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Acoustics and Ultrasonics and Organic Chemistry, having authored 76 papers that have together received 29.8k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (34 papers), Spectroscopy and Quantum Chemical Studies (17 papers), Photochemistry and Electron Transfer Studies (16 papers), Machine Learning in Materials Science (14 papers), Magnetism in coordination complexes (10 papers), Crystallography and molecular interactions (8 papers), Metal-Organic Frameworks: Synthesis and Applications (7 papers) and Organic and Molecular Conductors Research (6 papers). The work is most often cited by research in Physical and Theoretical Chemistry (4.3k citations), Inorganic Chemistry (5.7k citations), Catalysis (2.5k citations), Organic Chemistry (8.8k citations) and Materials Chemistry (12.1k citations). Lars Goerigk has collaborated with scholars based in Australia, Germany and China. Frequent co-authors include Stefan Grimme, Stephan Ehrlich, Asim Najibi, Holger Kruse, Christoph Bauer, Andreas Hansen, Marcos Casanova‐Páez, Gerhard Erker, Nisha Mehta and Jonas Moellmann. Their work appears in journals such as Journal of Chemical Theory and Computation, Physical Chemistry Chemical Physics, The Journal of Physical Chemistry A, Journal of Computational Chemistry and Angewandte Chemie International Edition.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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