Anthony K. Rappé

20.4k total citations · 4 hit papers
101 papers, 17.2k citations indexed

About

Anthony K. Rappé is a scholar working on Organic Chemistry, Materials Chemistry and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Anthony K. Rappé has authored 101 papers receiving a total of 17.2k indexed citations (citations by other indexed papers that have themselves been cited), including 37 papers in Organic Chemistry, 35 papers in Materials Chemistry and 25 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Anthony K. Rappé's work include Magnetism in coordination complexes (16 papers), Advanced Chemical Physics Studies (16 papers) and Organometallic Complex Synthesis and Catalysis (15 papers). Anthony K. Rappé is often cited by papers focused on Magnetism in coordination complexes (16 papers), Advanced Chemical Physics Studies (16 papers) and Organometallic Complex Synthesis and Catalysis (15 papers). Anthony K. Rappé collaborates with scholars based in United States, Australia and Colombia. Anthony K. Rappé's co-authors include William A. Goddard, C. J. Casewit, W. M. Skiff, Georgia B. McGaughey, E. R. Bernstein, Laurie A. Castonguay, T. H. Upton, Matthew P. Shores, P Shing Ho and Niels H. Damrauer and has published in prestigious journals such as Nature, Chemical Reviews and Proceedings of the National Academy of Sciences.

In The Last Decade

Anthony K. Rappé

99 papers receiving 16.7k citations

Hit Papers

align trajectories sort by overperformance

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

1992 8.6k citations Anthony K. Rappé, C. J. Casewit et al. Journal of the American Chemical Society profile →
Charge equilibration for molecular dynamics simulations

1991 2.9k citations Anthony K. Rappé, William A. Goddard The Journal of Physical Chemistry profile →
π-Stacking Interactions

1998 986 citations Georgia B. McGaughey, Anthony K. Rappé et al. Journal of Biological Chemistry profile →
Application of a universal force field to organic molecules

1992 528 citations C. J. Casewit, Anthony K. Rappé et al. Journal of the American Chemical Society profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Anthony K. Rappé United States	38	7.4k	4.6k	3.7k	2.9k	2.1k	101	17.2k
Hans W. Horn United States	33	6.3k 0.9×	5.3k 1.1×	7.0k 1.9×	5.4k 1.8×	2.9k 1.4×	57	21.4k
Ansgar Schäfer Germany	25	6.3k 0.9×	5.9k 1.3×	6.5k 1.7×	4.1k 1.4×	1.8k 0.9×	53	19.0k
Andreas Klamt Germany	53	7.4k 1.0×	4.1k 0.9×	9.2k 2.5×	4.0k 1.4×	3.3k 1.5×	123	27.5k
Xin Xu China	62	7.4k 1.0×	1.6k 0.4×	2.5k 0.7×	3.9k 1.3×	1.3k 0.6×	410	17.3k
Yizhak Marcus Israel	66	6.4k 0.9×	2.5k 0.5×	5.2k 1.4×	5.4k 1.9×	1.9k 0.9×	357	24.1k
Joost VandeVondele Switzerland	49	8.6k 1.2×	2.6k 0.6×	1.6k 0.4×	6.5k 2.2×	1.5k 0.7×	106	19.4k
Richard L. Martin United States	66	10.0k 1.4×	7.6k 1.6×	3.5k 0.9×	4.0k 1.4×	537 0.3×	191	18.5k
Jan Andzelm United States	44	5.0k 0.7×	2.0k 0.4×	3.4k 0.9×	4.6k 1.6×	802 0.4×	132	13.0k
Ralf Ludwig Germany	66	3.6k 0.5×	3.3k 0.7×	4.2k 1.1×	2.9k 1.0×	641 0.3×	381	17.1k
Julia Contreras‐García France	35	5.6k 0.8×	3.6k 0.8×	7.1k 1.9×	2.8k 1.0×	1.6k 0.7×	132	17.7k

Countries citing papers authored by Anthony K. Rappé

Since Specialization

Citations

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

Fields of papers citing papers by Anthony K. Rappé

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Anthony K. Rappé. 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 Anthony K. Rappé. The network helps show where Anthony K. Rappé may publish in the future.

Co-authorship network of co-authors of Anthony K. Rappé

This figure shows the co-authorship network connecting the top 25 collaborators of Anthony K. Rappé. A scholar is included among the top collaborators of Anthony K. Rappé 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 Anthony K. Rappé. Anthony K. Rappé is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Blotevogel, Jens, Jiamin Mai, Ravi Naidu, et al.. (2026). PFAS thermal treatment approaches and enhancement. 2(1). 38–53.

Rappé, Anthony K., et al.. (2025). Design of a halogen bond catalyzed DNA endonuclease. Proceedings of the National Academy of Sciences. 122(14). e2500099122–e2500099122. 3 indexed citations

Xu, Minggao, Long Zhao, Anthony K. Rappé, et al.. (2025). Direct measurement of fluorocarbon radicals in the thermal destruction of perfluorohexanoic acid using photoionization mass spectrometry. Science Advances. 11(9). eadt3363–eadt3363. 3 indexed citations

Blotevogel, Jens, et al.. (2025). Headgroup Dependence and Kinetic Bottlenecks of Gas-Phase Thermal PFAS Destruction. ACS ES&T Engineering. 5(4). 910–921. 6 indexed citations

Blotevogel, Jens, Wenchao Lu, & Anthony K. Rappé. (2024). Thermal Destruction Pathways and Kinetics for NTf2 and Longer-Chain Bis(perfluoroalkanesulfonyl)imides (Bis-FASIs). Environmental Science & Technology Letters. 11(11). 1254–1259. 4 indexed citations

Alinezhad, Ali, Mohammednoor Altarawneh, Mohamed Ateia, et al.. (2024). New Insights into Thermal Degradation Products of Long-Chain Per- and Polyfluoroalkyl Substances (PFAS) and Their Mineralization Enhancement Using Additives. Environmental Science & Technology. 58(50). 22417–22430. 21 indexed citations

Gao, Yifan, et al.. (2023). Hot topic: thermal treatment of per- and polyfluoroalkyl substances. Current Opinion in Chemical Engineering. 42. 100976–100976. 9 indexed citations

Rappé, Anthony K., et al.. (2022). Doublet Ground State in a Vanadium(II) Complex: Redox and Coordinative Noninnocence of Tripodal Ligand Architecture. Inorganic Chemistry. 61(17). 6376–6391. 8 indexed citations

Nguyen, Michael, et al.. (2021). Electronic Structures of Cr(III) and V(II) Polypyridyl Systems: Undertones in an Isoelectronic Analogy. Inorganic Chemistry. 60(17). 12823–12834. 9 indexed citations

10.

Shores, Matthew P., et al.. (2020). Protobranching as repulsion-induced attraction: a prototype for geminal stabilization. Physical Chemistry Chemical Physics. 22(29). 16998–17006.

11.

Higgins, Robert F., et al.. (2019). Evidence for Reagent-Induced Spin-State Switching in Tripodal Fe(II) Iminopyridine Complexes. Inorganic Chemistry. 58(12). 7785–7793. 15 indexed citations

12.

Blotevogel, Jens, Anthony K. Rappé, Arthur N. Mayeno, Tom Sale, & Thomas Borch. (2018). The Mechanism of C–H Bond Oxidation by Aqueous Permanganate. Environmental Science & Technology. 52(17). 9845–9850. 13 indexed citations

13.

Higgins, Robert F., Steven M. Fatur, Niels H. Damrauer, et al.. (2018). Detection of an Energy-Transfer Pathway in Cr-Photoredox Catalysis. ACS Catalysis. 8(10). 9216–9225. 22 indexed citations

14.

Hoffert, W.A., Anthony K. Rappé, & Matthew P. Shores. (2010). Unusual Electronic Effects Imparted by Bridging Dinitrogen: an Experimental and Theoretical Investigation. Inorganic Chemistry. 49(20). 9497–9507. 14 indexed citations

15.

McGaughey, Georgia B., et al.. (1998). π-Stacking Interactions. Journal of Biological Chemistry. 273(25). 15458–15463. 986 indexed citations breakdown →

16.

Russo, Thomas, et al.. (1998). LReO₃ Epoxidizes, cis-Dihydroxylates, and Cleaves Alkenes as Well as Alkenylates Aldehydes: Toward an Understanding of Why. Organometallics. 17(13). 2716–2719. 43 indexed citations

17.

Rappé, Anthony K., et al.. (1993). Reply to Comment on: van der Waals functional forms for molecular simulations. The Journal of Chemical Physics. 98(3). 2492–2492. 3 indexed citations

18.

Rappé, Anthony K., et al.. (1993). Application of a universal force field to metal complexes. Inorganic Chemistry. 32(16). 3438–3450. 386 indexed citations

19.

Rappé, Anthony K., et al.. (1992). UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. Journal of the American Chemical Society. 114(25). 10024–10035. 8568 indexed citations breakdown →

20.

Rappé, Anthony K., et al.. (1992). Estimation of magnetic exchange coupling constants in bridged dimer complexes. The Journal of Physical Chemistry. 96(15). 6264–6269. 55 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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