Papers recently cited Multiwfn are shown below, the indices are assigned according to publication date. To check full list of previous publications that cited Multiwfn, please click:
1-5000　5001-10000　10001-15000　15001-present

Note that this is just a partial, very incomplete statistics.

21201 Kangwei Xu, Zhekai Xie, Xu Kang, Ruibo Wu, Probing intermediate folding patterns determined the carbon skeleton construction mechanism of cyathane diterpene, Phys. Chem. Chem. Phys. (2025) https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp01137j/

21202 Xinrui Zhang, Zhiyue Han, Electronic excitation behavior and anharmonic IR spectrum characteristics of RDX, J. Mol. Model., 31, 175 (2025) https://link.springer.com/article/10.1007/s00894-025-06398-5

21203 Jiaqi Cui, Li Zhang, Zhisheng Li, et al., Synergistic inhibition mechanism of inhibitor ions (Ca2+, Cl−) on oxygen-containing functional groups in coal, Int. J. Coal. Prep. Util. (2025) https://www.tandfonline.com/doi/abs/10.1080/19392699.2025.2511017

21204 Haimyapriya Buragohain, Ramesh C. Deka, Kaushik Talukdar, Intermolecular Interactions of Nitrogen-Substituted Chalcogen Heterocycles: From Electron Density to Binding Energy Landscapes, ChemRxiv (2025) https://chemrxiv.org/engage/chemrxiv/article-details/683010161a8f9bdab55e3497

21205 Xiaomin Qiu, Xiaoyu Cao, Fan Zhang, et al., Unraveling the intermolecular interaction profiles of poly(ionic liquid)s with phenolic compounds: Insights into aromaticity, stacking, and bonding, Fuel, 400, 135753 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0016236125014784

21206 Penglai Yao, Jiale Ou, Dede Zhao, et al., An AIE-activated fluorescent sensor for one-step concurrent detection and bioimaging of perfluorooctanoic acid and perfluorooctane sulfonate in vitro and in vivo, J. Hazard. Mater., 494, 138765 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0304389425016814

21207 Juan Dang, Li-ao Gao, Xue Jia, et al., New micro- and macro- perspective on the removal process of 1H-benzotriazole by UV/PDS: Degradation mechanism, kinetics and multi-factor impact on removal efficiency, J. Environ. Manag., 387, 125941 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0301479725019176 (Multiwfn was not properly cited!)

21208 Zirui Pu, Chunyan Wu, Yifan Ren, et al., Pollutant electronic properties modulate oxidation pathway selection in 3D electrochemical system: Mechanistic insights in adaptable water remediation, Appl. Catal. B, 378, 125537 (2025) https://www.sciencedirect.com/science/article/abs/pii/S092633732500520X

21209 Ye Wang, Jingxiao Zhang, Hongrui Zhang, et al., Thermodynamic properties and intermolecular hydrogen bonding in 1,2-Propanediol/Diethylenetriamine Mixtures: Experimental and computational insights, J. Mol. Liq. (2025) https://www.sciencedirect.com/science/article/abs/pii/S0167732225010232

21210 Yifei Guo, Lijuan Ding, Xiaoxue Lang, et al., Dual-targeting chemoimmunotherapy co-delivery system based on self-assembly and core-shell structure, Biomed. Pharmacoth., 188, 118156 (2025) https://www.sciencedirect.com/science/article/pii/S0753332225003506 (Multiwfn was not properly cited!)

21211 Steve Scheiner, Semicoordinate and Halogen Bonding to Group 10 and Group 8 Metals, Phys. Chem. Chem. Phys. (2025) https://pubs.rsc.org/en/content/articlehtml/2025/cp/d5cp01662b

21212 Zhi Han, Ping Liu, Yanjun Zuo, et al., N2O and NO formation and inhibition influenced by calcium (Ca) during coal char combustion, Fuel, 400, 135827 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0016236125015522

21213 Edak K. Agi-Odey, Idongesit J. Mbonu, Uwakima S. Ikoedem, Michael O. Odey, Chemical tailoring of silicon carbide nanotubes as sensors for polybrominated diphenyl ether (PBDE): A computational study of bismuth mono-doping and co-doping with chalcogenides, J. Ind. Chem. Soc., 102, 101800 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0019452225002353

21214 Dandan Li, Xiaoyu Wang, Chen Xie, et al., Deciphering cadmium effects on biodegradation of triphenyl phosphate in sediments: Insights from molecular biology and computational chemistry, J. Hazard. Mater., 494, 138752 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0304389425016681

21215 Jin Qian, Sai Bai, Xiaohui Mi, et al., Insights into norfloxacin biodegradation and the fate of antibiotics resistance genes associated with sulfur-driven autotrophic denitrification, Chem. Eng. J., 516, 164212 (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725050478 (Multiwfn was not properly cited!)

21216 Mahesha, A. H Udaya Kumar, M. J Nagesh Khadri, et al., Analysis of supramolecular self-assembly in μ-phenoxide bridged heterocyclic β-diketone dinuclear Cu (II) complex, Synth. Metals (2025) https://www.sciencedirect.com/science/article/abs/pii/S0379677925000578

21217 Yue Yang, Zihong Xu, Zhenjun Xiao, et al., Research on the mechanism of flumequine degradation by ultraviolet light activated trichloroisocyanuric acid, Environ. Res., 281, 121976 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0013935125012277

21218 Peng Tang, Jian Zhang, Xueying Li, et al., Photodetachment Dynamics and Structural Flexibility of Undercoordinated Iridium Halides IrCln– (n = 3−5): An Experimental and Theoretical Investigation, ChemPhysChem (2025) https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cphc.202500170

21219 Mohamed Chellegui, Ines Salhi, Ali Ben Ahmed, et al., Mechanistic study of the [2 + 2] cycloaddition of ethylene with ketene derivatives via MEDT, Struct. Chem. (2025) https://link.springer.com/article/10.1007/s11224-025-02520-8

21220 N.A. Svinkin, V.M. Kondratev, R.G. Polozkov, et al., Silicon nanowire based sensorics of acids and bases, St. Petersburg State Polytechnical University Journal. Physics and Mathematics., 18, 145 (2025) https://physmath.spbstu.ru/userfiles/files/articles/2025/1.1/25_145-151_18(1_1)2025.pdf