Jakub Chalupský

799 total citations
22 papers, 638 citations indexed

About

Jakub Chalupský is a scholar working on Inorganic Chemistry, Atomic and Molecular Physics, and Optics and Molecular Biology. According to data from OpenAlex, Jakub Chalupský has authored 22 papers receiving a total of 638 indexed citations (citations by other indexed papers that have themselves been cited), including 10 papers in Inorganic Chemistry, 8 papers in Atomic and Molecular Physics, and Optics and 5 papers in Molecular Biology. Recurrent topics in Jakub Chalupský's work include Metal-Catalyzed Oxygenation Mechanisms (8 papers), Spectroscopy and Quantum Chemical Studies (5 papers) and Advanced Chemical Physics Studies (5 papers). Jakub Chalupský is often cited by papers focused on Metal-Catalyzed Oxygenation Mechanisms (8 papers), Spectroscopy and Quantum Chemical Studies (5 papers) and Advanced Chemical Physics Studies (5 papers). Jakub Chalupský collaborates with scholars based in Czechia, Japan and United States. Jakub Chalupský's co-authors include Takeshi Yanai, Yuki Kurashige, Lan Nguyen Tran, Lubomı́r Rulı́šek, Masaaki Saitow, Edward I. Solomon, Martin Srnec, Wataru Mizukami, Frank Neese and Ulf Ryde and has published in prestigious journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and The Journal of Physical Chemistry B.

In The Last Decade

Jakub Chalupský

22 papers receiving 633 citations

Peers

Jakub Chalupský
Leon Freitag Austria
Georgi L. Stoychev Germany
Antony Fouqueau Switzerland
Erik D. Hedegård Denmark
Eric J. Sundstrom United States
Roman Reviakine Germany
Christian Remenyi Germany
Masaki Mitani Japan
Sebastian Dohm Germany
Armağan Kınal Türkiye
Leon Freitag Austria
Jakub Chalupský
Citations per year, relative to Jakub Chalupský Jakub Chalupský (= 1×) peers Leon Freitag

Countries citing papers authored by Jakub Chalupský

Since Specialization
Citations

This map shows the geographic impact of Jakub Chalupský'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 Jakub Chalupský with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Jakub Chalupský more than expected).

Fields of papers citing papers by Jakub Chalupský

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jakub Chalupský. 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 Jakub Chalupský. The network helps show where Jakub Chalupský may publish in the future.

Co-authorship network of co-authors of Jakub Chalupský

This figure shows the co-authorship network connecting the top 25 collaborators of Jakub Chalupský. A scholar is included among the top collaborators of Jakub Chalupský based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Jakub Chalupský. Jakub Chalupský is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
McNicholas, Brendon J., Daniel Bím, Nathanael P. Kazmierczak, et al.. (2023). Electronic Structures of Nickel(II)-Bis(indanyloxazoline)-dihalide Catalysts: Understanding Ligand Field Contributions That Promote C(sp 2 )–C(sp 3 ) Cross-Coupling. Inorganic Chemistry. 62(34). 14010–14027. 15 indexed citations
2.
Maldonado‐Domínguez, Mauricio, et al.. (2023). Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis. Journal of the American Chemical Society. 145(16). 9039–9051. 5 indexed citations
3.
Chalupský, Jakub, et al.. (2022). Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria. ChemPhysChem. 23(14). e202200076–e202200076. 8 indexed citations
4.
Chalupský, Jakub, Martin Srnec, & Takeshi Yanai. (2021). Interpretation of Exchange Interaction through Orbital Entanglement. The Journal of Physical Chemistry Letters. 12(4). 1268–1274. 3 indexed citations
5.
Chalupský, Jakub & Martin Srnec. (2021). Beyond the Classical Contributions to Exchange Coupling in Binuclear Transition Metal Complexes. The Journal of Physical Chemistry A. 125(11). 2276–2283. 4 indexed citations
6.
Bím, Daniel, et al.. (2020). Proton–Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase. Journal of the American Chemical Society. 142(23). 10412–10423. 27 indexed citations
7.
Wen, Jin, Jakub Chalupský, Gerhard Raabe, et al.. (2018). Magnetic circular dichroism of an unaromatic planar [8]annulene. Journal of Physical Organic Chemistry. 31(8). 2 indexed citations
8.
Kaminský, Jakub, et al.. (2017). Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry A. 121(47). 9064–9073. 12 indexed citations
9.
Yanai, Takeshi, Masaaki Saitow, Xiao‐Gen Xiong, et al.. (2017). Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States. Journal of Chemical Theory and Computation. 13(10). 4829–4840. 41 indexed citations
10.
Rokob, Tibor András, Jakub Chalupský, Daniel Bím, et al.. (2016). Mono- and binuclear non-heme iron chemistry from a theoretical perspective. JBIC Journal of Biological Inorganic Chemistry. 21(5-6). 619–644. 17 indexed citations
11.
Tran, Lan Nguyen, Jakub Chalupský, & Takeshi Yanai. (2015). Molecular g-tensors from analytical response theory and quasi-degenerate perturbation theory in the framework of complete active space self-consistent field method. Molecular Physics. 113(13-14). 1750–1767. 11 indexed citations
12.
Kurashige, Yuki, Masaaki Saitow, Jakub Chalupský, & Takeshi Yanai. (2014). Radical O–O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory. Physical Chemistry Chemical Physics. 16(24). 11988–11999. 19 indexed citations
13.
Yanai, Takeshi, Yuki Kurashige, Wataru Mizukami, et al.. (2014). Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications. International Journal of Quantum Chemistry. 115(5). 283–299. 134 indexed citations
14.
Chalupský, Jakub, Tibor András Rokob, Yuki Kurashige, et al.. (2014). Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations. Journal of the American Chemical Society. 136(45). 15977–15991. 56 indexed citations
15.
Kurashige, Yuki, Jakub Chalupský, Lan Nguyen Tran, & Takeshi Yanai. (2014). Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group. The Journal of Chemical Physics. 141(17). 174111–174111. 109 indexed citations
16.
Chalupský, Jakub & Takeshi Yanai. (2013). Flexible nuclear screening approximation to the two-electron spin–orbit coupling based on ab initio parameterization. The Journal of Chemical Physics. 139(20). 204106–204106. 11 indexed citations
17.
Vancoillie, Steven, Jakub Chalupský, Ulf Ryde, et al.. (2010). Multireference Ab Initio Calculations of g tensors for Trinuclear Copper Clusters in Multicopper Oxidases. The Journal of Physical Chemistry B. 114(22). 7692–7702. 40 indexed citations
18.
Srnec, Martin, Jakub Chalupský, Miroslav Fojta, et al.. (2008). Effect of Spin−Orbit Coupling on Reduction Potentials of Octahedral Ruthenium(II/III) and Osmium(II/III) Complexes. Journal of the American Chemical Society. 130(33). 10947–10954. 53 indexed citations
19.
Chalupský, Jakub, Jiřı́ Vondrášek, & V. S̆pirko. (2008). Quasiplanarity of the Peptide Bond. The Journal of Physical Chemistry A. 112(4). 693–699. 14 indexed citations
20.
Chalupský, Jakub, Frank Neese, Edward I. Solomon, Ulf Ryde, & Lubomı́r Rulı́šek. (2006). Multireference Ab Initio Calculations on Reaction Intermediates of the Multicopper Oxidases. Inorganic Chemistry. 45(26). 11051–11059. 41 indexed citations

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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