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　15001-20000　20001-present

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

23201 Valarmani M. Vasanthakannan, Kittusamy Senthilkumar, Aza-triphenylene and benzene based COF as an anode for Na and Mg ion batteries, Appl. Surf. Sci., 719, 165052 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0169433225027680

23202 Bin Jiang, Yan Cui, Shuai Li, et al., Salicylate-based ionic liquids for extraction of critical metals from spent lithium-ion batteries via coordination, Chem. Eng. Sci., 321, 122899 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0009250925017208

23203 Hang Gu, Runye Wu, Bingbing Gao, et al., Efficient construction of IFR vesicles with ultra-high water resistance and thermal stability for enhancing the fire safety of PP, Polym. Degrad. Stab., 243, 111768 (2026) https://www.sciencedirect.com/science/article/abs/pii/S014139102500597X

23204 Jianliang Zhang, Lian Ye, Han Dang, et al., Conversion of biomass to blast furnace injection fuel via high-temperature and high-pressure steam upgrading: An experimental and DFT calculation study, Fuel, 407, 137292 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0016236125030170

23205 Kritika Garg, Jakub Herman, Anup Naha, Debanjan Bhattacharjee, Density functional theory analysis of two fluorinated liquid crystalline materials: a comprehensive study, Discover Appl. Sci., 7, 1315 (2025) https://link.springer.com/article/10.1007/s42452-025-07850-0

23206 Smiti Rani Bora, Banashmita Barman, Dhruba Jyoti Kalita, Theoretical design and analysis of D–π–A–A′ organic dyes for enhanced efficiency in DSSCs by modifying donor (D) and acceptor (A) moieties, RSC Adv., 15, 42099 (2025) https://pubs.rsc.org/en/content/articlelanding/2025/ra/d5ra07258a

23207 Litao Jia, Fanghua Li, Yang Yang, et al., Dual-active-site engineering in S-scheme heterojunctions: Enhanced separation of photogenerated electron-hole pairs for synergistic photoredox catalysis, Chem. Eng. J., 525, 170414 (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725112588

23208 Zhenhong Qi, Meiqi Dai, Yu-Juan Ma, Dongpeng Yan, Artificial Decision Tree Guided Screening of Ultralong Room-Temperature Phosphorescent Cocrystals with Locally Excited States, Angew. Chem. (2025) https://onlinelibrary.wiley.com/doi/abs/10.1002/ange.202521837

23209 Tamizharuvi T, Rajendran T.V, Mukta Sharma, et al., Novel Zirconium doped V2O5 nanoparticles for effective biological applications: an experimental and theoretical approach, ResearchSquare (2025) https://www.researchsquare.com/article/rs-7700511/v1

23210 Feng-Yi Sun, Xue Wei, Wei-Bo Cui, et al., Modification of C^N cyclometalated ligands: theoretical design of structurally diverse Ir(iii) complexes for two-photon photodynamic therapy, Phys. Chem. Chem. Phys. (2025) https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp02331a/

23211 Lin Yang, Yongxiang Zeng, Na Wu, et al., A pH-responsive prodrug biomimetic nanoplatform based on cis-aconitic anhydride-modified methotrexate for targeting therapy of oral squamous cell carcinoma, Chem. Eng. J., 525, 170412 (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725112564

23212 Sameer Nawaf, Alaa A. Al-Jobory, Anhar A. Ouda, Ruqayah A. Najm, Thermoelectric performance enhancement in cadmium-combined GaN nanosheets, Dalton Trans. (2025) https://pubs.rsc.org/en/content/articlelanding/2025/dt/d5dt02083b/

23213 Jean-Pierre Tchapet Njafa, Elvira Vanelle Kameni Tcheuffa, Aissatou Maghame, S. G. Nana Engo, Validation of Semi-Empirical xTB Methods for High-Throughput Screening of TADF Emitters: A 747-Molecule Benchmark Study, Arxiv (2025) https://arxiv.org/pdf/2511.00922

23214 Benyue Guo, Lu Hu, Siping Pang, A methyl-driven strategy enhances sensitivity through the modulation of aromaticity, CrystEngComm (2025) https://pubs.rsc.org/en/content/articlelanding/2025/ce/d5ce00871a

23215 Walid Daoudi, Khalid karrouchi, Mohammed Alqarni, et al., Synthesis, Single Crystal X-Ray Diffraction Analysis, Hirshfeld Surface, and Molecular Docking Study of 7-Methyl-2-phenylimidazo[1,2-a]Pyridine-3-carbaldehyde, ChemistrySelect (2025) https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.202504019

23216 Yusong Zhang, Wei Shi, Huanlin Li, et al., Terahertz absorption spectra of (S)-(+)-2-phenylpropanoic acid, (R)-(-)-2-phenylpropanoic acid and their racemic mixtures, J. Mol. Struct., 1352, 144634 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0022286025032776

23217 Md Gishan, Mridul Karmakar, Rosa M. Gomila, et al., Tandem synthesis of zinc tetrazolate complexes via [3 + 2] cyclo-addition at ambient condition and exploration of noncovalent interactions in their solid state structures, Polyhedron (2025) https://www.sciencedirect.com/science/article/abs/pii/S0277538725004772

23218 Jiani Liu, Bin Hu, Chengwen Deng, et al., Gemini surfactants stabilized emulsion gels with chitosan quaternary ammonium salts for 3D printing and thermal-insulating aerogel, Chem. Eng. J., 525, 170427 (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725112710

23219 Rui-Zhi Wu, Xing-Liang Li, Huan-Sheng Cai, et al., Biomimetic self-reinforcing recyclable biomass-derived inherently-safe sustainable materials, Nat. Commun., 16, 9683 (2025) https://www.nature.com/articles/s41467-025-64664-9

23220 Víctor M. Jimenez Arevalo, Pablo Martin, Pedro Zamora, et al., From Elemental Metals to Synergistic Electrocatalysis: Comparative Theoretical and Experimental Insights into FeNiCoCuMo High-Entropy Alloy for Alkaline Oxygen Evolution Reaction, International Journal of Minerals, Metallurgy and Materials (2025) http://ijmmm.ustb.edu.cn/cn/article/pdf/preview/10.1007/s12613-025-3311-7.pdf

23221 Yudi Wang, Wenrui Li, Xin Wu, et al., Graphene oxide doping of the hole injection layer enables 23.6% efficiency in perovskite solar cells with carbon electrodes, Nature Energy (2025) https://www.nature.com/articles/s41560-025-01893-8

23222 Pengfei Zhang, Yufei Meng, Shulin Bai, et al., Stacking-driven Na-bilayer cross vibration and band convergence in Na2CuZnSeP superlattice thermoelectric material, Chem. Eng. J. (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725112941

23223 Weibo Cui, Yexuan Pu, Linjie Li, et al., Synergistic molecular design strategy for near-infrared multi-resonance emitters with accelerated spin-flip, Chem. Eng. J. (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725112540

23224 Han Yuan, Xiangzhou Li, Jun Zhou, et al., Application and mechanism of ultrasonic-assisted extraction of ginkgo flavonol glycosides with natural deep eutectic solvent-based supramolecular solvents, Ultrason. Sonochem. (2025) https://www.sciencedirect.com/science/article/pii/S1350417725004432

23225 Nino Russo, Maciej Spiegel, On the photophysical properties of Al, Ga and In hemin complexes: A quantum chemical investigation., Phys. Chem. Chem. Phys. (2025) https://pubs.rsc.org/en/Content/ArticleLanding/2025/CP/D5CP03186A

23226 Sibel Çelik, Selin Özkan-Kotiloğlu, Serap Yalçın-Azarkan, Exploring the toxicity of fluoxastrobin: a combined computational and experimental approach, J. Comput.-Aided Mol. Des., 39, 116 (2025) https://link.springer.com/article/10.1007/s10822-025-00699-w

23227 Siqi Song, Xiaoyuan Zhang, Zhen Yu, et al., Evolutionary strategies in response to the transmission risk of antimicrobial resistance upon repeated exposure to nanoparticles, J. Hazard. Mater., 500, 140376 (2025) https://www.sciencedirect.com/science/article/abs/pii/S0304389425032960

23228 Guoxuan Gu, Weirong Zhou, Dehao Kong, et al., Synergistic Surface Spin Polarization in W-Doped Co3O4 Enables High-Performance TEA Sensing, Sens. Actuat. B (2025) https://www.sciencedirect.com/science/article/abs/pii/S092540052501857X

23229 Zina Zhang, Fanya Yu, Hang He, et al., Rapid ambient-condition synthesis of La-MOF for high-efficiency fluoride removal, Sep. Purif. Technol., 382, 135970 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1383586625045678

23230 Yong Li, Yan Cui, Shuai Li, et al., Insights into screening green deep eutectic solvent for a more sustainable decarbonization process, Proc. Safety Environ. Protect. (2025) https://www.sciencedirect.com/science/article/abs/pii/S0957582025013825

23231 Seung-Yeon Jung, Yao-Peng Chen, Yun-Jeong Lee, et al., Low-polarity solvent-mediated lithium metal stabilization for improved performance in lithium-sulfur batteries, J. Energy Chem. (2025) https://www.sciencedirect.com/science/article/abs/pii/S2095495625009179

23232 Afaf M. Kadhum, Azal S. Waheeb, Shaimaa H. Mallah, et al., Integrating Computational Chemistry and Machine Learning for the Stability Prediction of Transition Metal Ternary Compounds, Mater. Chem. Phys. (2025) https://www.sciencedirect.com/science/article/abs/pii/S0254058425014117

23233 Fan Zhang, Qixuan Lin, Wu Lan, et al., Natural amino acid-tailored deep eutectic solvents for comprehensive bamboo valorization under mild conditions, Chem. Eng. J., 525, 170319 (2025) https://www.sciencedirect.com/science/article/abs/pii/S1385894725111637

23234 Pengxiao Guo, Rongqi Wang, Yadong Zhou, et al., A multifaceted study of three Cu(II) Schiff base complexes as urease inhibitors: Derived from experimental and computational approaches, Inorg. Chim. Acta (2025) https://www.sciencedirect.com/science/article/abs/pii/S0020169325004529

23235 Siwen Li, Ming Li, Aihong Guo, et al., Interfacial engineering of Zn anodes with zincophilic polyethylene terephthalate coating for high-performance and ultra-stable aqueous zinc-ion batteries, J. Coll. Interf. Sci., 704, 139397 (2026) https://www.sciencedirect.com/science/article/abs/pii/S0021979725027894

23236 Barbara Sechi, Alessandro Dessì, Roberto Dallocchio, et al., Unravelling dispersion forces in liquid-phase enantioseparation. Part III: Interplay between dispersion, repulsion, and hydrophobic forces in the enantioseparation of planar chiral 3-substituted-1-iodoethynylferrocenes, Anal. Chim. Acta (2025) https://www.sciencedirect.com/science/article/pii/S0003267025012474

23237 Muhammad Shahbaz, Muhammad Aqib Khurshid, Muhammad Ejaz, et al., Turn-off Fluorimetric Detection of Fe3+ Metal Ions by a Schiff Base Probe (E)-2-(((2-hydroxy-4-sulfonaphthalen-1-yl) imino) methyl) Benzoic Acid: A Combined Experimental and Theoretical Study, J. Fluores. (2025) https://link.springer.com/article/10.1007/s10895-025-04588-1

23238 Zhi Liu, Shuaishuai Yan, Yang Lu, et al., Non-corrosive asymmetric fluorinated aryl sulfonimide lithium salt for high-temperature and high-voltage lithium metal batteries, Nat. Commun., 16, 9721 (2025) https://www.nature.com/articles/s41467-025-64737-9

23239 Mouni Boukour, Sonia Badi, Karima Belguidoum, et al., Diclofenac electrooxidation at nickel hydroxide and its analytical application, J. Electroanal. Chem., 1000, 119615 (2026) https://www.sciencedirect.com/science/article/abs/pii/S1572665725006897

23240 Jing-Ran Shan, Qingyang Zhou, Riku Yamamoto, et al., Gas-Phase-like Inertial Rotation of a Platonic Solid in Reticular Amphidynamic Crystals of CUB-5: Molecular Dynamics and Experiment, J. Am. Chem. Soc. (2025) https://pubs.acs.org/doi/abs/10.1021/jacs.5c14281

23241 Jingxiao Zhang, Mengru Xie, Ye Wang, et al., Density, Speed of Sound, and Refractive Index of the Binary Solvent System n-Propanol + Monoethanolamine and Their Intermolecular Interactions, J. Chem. Eng. Data (2025) https://pubs.acs.org/doi/abs/10.1021/acs.jced.5c00410