Sotiris S. Xantheas

15.7k total citations · 3 hit papers
210 papers, 12.9k citations indexed

About

Sotiris S. Xantheas is a scholar working on Atomic and Molecular Physics, and Optics, Spectroscopy and Atmospheric Science. According to data from OpenAlex, Sotiris S. Xantheas has authored 210 papers receiving a total of 12.9k indexed citations (citations by other indexed papers that have themselves been cited), including 166 papers in Atomic and Molecular Physics, and Optics, 51 papers in Spectroscopy and 47 papers in Atmospheric Science. Recurrent topics in Sotiris S. Xantheas's work include Advanced Chemical Physics Studies (135 papers), Spectroscopy and Quantum Chemical Studies (97 papers) and Quantum, superfluid, helium dynamics (38 papers). Sotiris S. Xantheas is often cited by papers focused on Advanced Chemical Physics Studies (135 papers), Spectroscopy and Quantum Chemical Studies (97 papers) and Quantum, superfluid, helium dynamics (38 papers). Sotiris S. Xantheas collaborates with scholars based in United States, Japan and Greece. Sotiris S. Xantheas's co-authors include Thom H. Dunning, George S. Fanourgakis, Christian J. Burnham, Edoardo Aprà, Klaus Ruedenberg, Evangelos Miliordos, Soohaeng Yoo, Gregory J. Atchity, Xiao Cheng Zeng and Robert J. Harrison and has published in prestigious journals such as Nature, Science and Proceedings of the National Academy of Sciences.

In The Last Decade

Sotiris S. Xantheas

207 papers receiving 12.7k citations

Hit Papers

3 papers align trajectories

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.

Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

1993 737 citations Sotiris S. Xantheas, Thom H. Dunning The Journal of Chemical Physics profile →
Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions

1994 640 citations Sotiris S. Xantheas The Journal of Chemical Physics profile →
On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy

1996 608 citations Sotiris S. Xantheas The Journal of Chemical Physics profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Sotiris S. Xantheas United States	63	9.7k	3.8k	2.3k	2.2k	2.0k	210	12.9k
Henrik Koch Norway	51	12.7k 1.3×	4.4k 1.2×	2.0k 0.9×	3.7k 1.7×	2.9k 1.4×	189	15.8k
Ove Christiansen Denmark	64	10.2k 1.1×	3.9k 1.0×	1.5k 0.6×	3.9k 1.8×	2.6k 1.3×	215	13.6k
Krzysztof Szalewicz United States	71	13.3k 1.4×	4.4k 1.1×	1.6k 0.7×	3.7k 1.6×	2.7k 1.3×	239	17.1k
Bogumił Jeziorski Poland	55	10.3k 1.1×	3.3k 0.9×	1.2k 0.5×	2.5k 1.1×	1.4k 0.7×	149	12.4k
Martin Schütz Germany	49	8.7k 0.9×	2.8k 0.7×	1.1k 0.5×	2.6k 1.1×	3.2k 1.6×	115	12.1k
Wesley D. Allen United States	54	7.4k 0.8×	3.5k 0.9×	2.3k 1.0×	2.1k 1.0×	1.9k 1.0×	163	11.3k
Frederick R. Manby United Kingdom	49	7.7k 0.8×	2.4k 0.6×	1.2k 0.5×	1.7k 0.7×	2.8k 1.4×	121	10.4k
Mihály Kállay Hungary	45	6.4k 0.7×	2.4k 0.6×	1.6k 0.7×	1.3k 0.6×	2.1k 1.0×	168	9.1k
David C. Clary United Kingdom	62	12.1k 1.2×	7.2k 1.9×	3.4k 1.5×	2.2k 1.0×	1.7k 0.8×	355	16.4k
Gerald Knizia Germany	30	6.8k 0.7×	2.9k 0.8×	2.1k 0.9×	1.4k 0.6×	2.3k 1.1×	43	11.0k

Countries citing papers authored by Sotiris S. Xantheas

Since Specialization

Citations

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

Fields of papers citing papers by Sotiris S. Xantheas

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Sotiris S. Xantheas. 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 Sotiris S. Xantheas. The network helps show where Sotiris S. Xantheas may publish in the future.

Co-authorship network of co-authors of Sotiris S. Xantheas

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

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Hirata, Keisuke, et al.. (2025). The Nicotine–Tryptophan Dimer: Probing the Principal Interaction of Nicotine with the Nicotinic Acetylcholine Receptor (nAChR), the Binding Pocket in the Human Brain. Journal of the American Chemical Society. 147(17). 14043–14047. 1 indexed citations

Xantheas, Sotiris S., et al.. (2025). Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential. The Journal of Chemical Physics. 162(3). 1 indexed citations

Xantheas, Sotiris S., et al.. (2025). Extending Badger’s rule. II. The relationship between energy and vibrational spectra in hydrogen bonds. The Journal of Chemical Physics. 162(24).

Xantheas, Sotiris S., et al.. (2025). Extending Badger's rule. I. The relationship between energy and structure in hydrogen bonds. The Journal of Chemical Physics. 162(4). 2 indexed citations

Heindel, Joseph P., et al.. (2024). Descriptors of water aggregation. The Journal of Chemical Physics. 160(5). 5 indexed citations

Stone, Anthony J., et al.. (2023). Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model. Journal of Chemical Theory and Computation. 19(19). 6805–6815. 3 indexed citations

Mato, Joani, et al.. (2023). The Back Door to the Surface Hydrated Electron. The Journal of Physical Chemistry Letters. 14(36). 8221–8226. 1 indexed citations

Tzeli, Demeter & Sotiris S. Xantheas. (2022). Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn(X = C, Si, Ge, Sn;n= 1–4). The Journal of Chemical Physics. 156(24). 244303–244303. 5 indexed citations

Stone, Anthony J., et al.. (2022). A classical model for three-body interactions in aqueous ionic systems. The Journal of Chemical Physics. 157(2). 24101–24101. 3 indexed citations

10.

Takeda, N., et al.. (2021). Gas phase protonated nicotine is a mixture of pyridine- and pyrrolidine-protonated conformers: implications for its native structure in the nicotinic acetylcholine receptor. Physical Chemistry Chemical Physics. 24(10). 5786–5793. 12 indexed citations

11.

Yang, Nan, Sean C. Edington, Tae Hoon Choi, et al.. (2020). Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage. Proceedings of the National Academy of Sciences. 117(42). 26047–26052. 14 indexed citations

12.

Ishiuchi, Shun‐ichi, et al.. (2018). Probing the selectivity of Li⁺and Na⁺cations on noradrenaline at the molecular level. Faraday Discussions. 217(0). 396–413. 3 indexed citations

13.

Warneke, Jonas, Gao‐Lei Hou, Edoardo Aprà, et al.. (2017). Electronic Structure and Stability of [B₁₂X₁₂]^2– (X = F–At): A Combined Photoelectron Spectroscopic and Theoretical Study. Journal of the American Chemical Society. 139(41). 14749–14756. 65 indexed citations

14.

Miliordos, Evangelos, et al.. (2017). Ortho-para interconversion in cation-water complexes: The case of V+(H2O) and Nb+(H2O) clusters. The Journal of Chemical Physics. 146(22). 224305–224305. 8 indexed citations

15.

Miliordos, Evangelos, et al.. (2014). A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction. Chemical Physics Letters. 619. 133–138. 12 indexed citations

16.

Miliordos, Evangelos & Sotiris S. Xantheas. (2013). Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: a case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+. Physical Chemistry Chemical Physics. 16(15). 6886–6886. 14 indexed citations

17.

Blake, Thomas A. & Sotiris S. Xantheas. (2006). Structure, Vibrational Spectrum, and Ring Puckering Barrier of Cyclobutane. The Journal of Physical Chemistry A. 110(35). 10487–10494. 15 indexed citations

18.

Fanourgakis, George S., Edoardo Aprà, Wibe A. de Jong, & Sotiris S. Xantheas. (2005). High-level ab initio calculations for the four low-lying families of minima of(H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks. The Journal of Chemical Physics. 122(13). 134304–134304. 74 indexed citations

19.

Xantheas, Sotiris S. & Klaus Ruedenberg. (1994). Potential energy surfaces of carbon dioxide. International Journal of Quantum Chemistry. 49(4). 409–427. 25 indexed citations

20.

Xantheas, Sotiris S. & Thom H. Dunning. (1993). The structure of the water trimer from ab initio calculations. The Journal of Chemical Physics. 98(10). 8037–8040. 220 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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