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~present

12401 Amlan Jyoti Kalita, Namrata Gohain, Abhik Bordoloi, Ankur Kanti Guha , Planar pentacoordinate carbon in 16 electron neutral CCu2Be3H4 cluster, Phys. Chem. Chem. Phys. (2023) https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp00758h

12402 Sandhya Rani Nayak, Jaipal Devesing Girase, Mangey Ram Nagar, et al., Solution Processable Deep-Blue OLEDs Based on Benzimidazole-TPA Conjugated through 9,9-Diethyl Fluorene (D-π-A) Luminophore with a Hybridized Local and Charge Transfer Excited State, J. Phys. Chem. C (2023) https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c00790 (Multiwfn was not properly cited!)

12403 Vinay Kumar D C, Chethan B S, Darshini Gowda, et al., Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach, J. Mol. Struct. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0022286023008669

12404 Yilin Wang, Jia Chen, Chenxi Wang, et al., An electrochemical sensor based on Ce-MOF-derived Ce-doped poly(3,4-ethylenedioxythiophene) composite for efficient determination of rutin in food, Talanta (2023) https://www.sciencedirect.com/science/article/pii/S0039914023004290

12405 Shengnan Hu, Sisi Yan, Yuanyuan Hu, et al., A PN(Pz)P Ligand Protected Au2Cu2 Complex for Photoluminescent Ultra-low Humidity Detection with Reversible Single-crystal-to-single-crystal Transformations, Inorg. Chem. Front. (2023) https://pubs.rsc.org/en/content/articlehtml/2023/qi/d3qi00549f

12406 Zhengang Ke, Yuepeng Wang, Yanfei Zhao, et al., Ionic Liquid Hydrogen-bonding Promoted Alcohols Amination over Cobalt Catalyst via Dihydrogen Autotransfer Mechanism, ChemSusChem (2023) https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cssc.202300513 (Multiwfn was not properly cited!)

12407 Junjian Miao, Yubi Gao, Xiankai Jiang, Yi Gao, A highly effective halide anion sponge containing tellurium σ-hole, Mol. Phys. (2023) https://www.tandfonline.com/doi/abs/10.1080/00268976.2023.2213192

12408 Jesni M. Jacob, Pralok K. Samanta, Mahesh Kumar Ravva, Computational design of efficient near-infrared TADF emitters with hot-exciton characteristics, New J. Chem. (2023) https://pubs.rsc.org/en/content/articlelanding/2023/nj/d3nj01955a/

12409 P. Sangeetha, Naiyf S. Alharbi, Aleksandr S. Kazachenko, et al., Spectroscopic analysis of 2-amino-1-naphthalenesulfonic acid, molecular docking, and evaluation of the electronic properties of several solvents, Spectrosc. Lett. (2023) https://www.tandfonline.com/doi/abs/10.1080/00387010.2023.2210208

12410 Anuj Kumar, Chhaya Sharma, UiO-66-NH2: a recyclable and efficient sorbent for dispersive solid-phase extraction of fluorinated aromatic carboxylic acids from aqueous matrices, Anal. Bioanal. Chem. (2023) https://link.springer.com/article/10.1007/s00216-023-04728-1

12411 Yanting Liang, Yiming Luo, Ruijun Gou, et al., Theoretical study on the influence of different solvents on the growth morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF), J. Mol. Model., 29, 179 (2023) https://link.springer.com/article/10.1007/s00894-023-05590-9

12412 Peng Liu, Yao Li, Yawei Liu, Ju Liu, et al., Molecular Insights into the Binding Behavior of Imidazolium Ionic Liquids to the Receptor Binding Domain of the SARS-CoV-2 Spike Protein, J. Phys. Chem. B (2023) https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.3c00593

12413 Yang Liu, Cong-Zhi Wang, Qun-Yan Wu, et al., Theoretical Insights on the Complexation of Americium(III) and Europium(III) with Diglycolamide- and Dimethylacetamide-Functionalized Calix[4]arenes, Inorg. Chem. (2023) https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c00546

12414 Yuling Zhang, Hongwei Ren, Baochai Li, et al., Mechanistic insights into the lignin dissolution behavior in amino acid based deep eutectic solvents, Int. J. Biol. Macromol. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0141813023017233

12415 Xukang Jin, Qi Duan, Xiuting Li, et al., Dissolution of Curcumin by Deep Eutectic Solvent of Fatty Acids, J. East China Univ. Sci. and Technol. (2023) https://journal.ecust.edu.cn/cn/article/doi/10.14135/j.cnki.1006-3080.20230228001

12416 Chang Liu, Leqian Song, Shuai Cao, et al., Green synthesis of 2-hydroxypropyl-β-cyclodextrin polymers crosslinked by citric acid for highly efficient removal of methylene blue, Polymer (2023) https://www.sciencedirect.com/science/article/abs/pii/S0032386123003737

12417 Nan Wu, An Ning, Ling Liu, et al., Methanesulfonic acid and iodous acid nucleation: a novel mechanism of marine aerosols, Phys. Chem. Chem. Phys. (2023) https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp01198d/

12418 Sheryl Cherian Parakkal, Riya Datta, S. Muthu, Abdulaziz A. Al-Saadi, STRUCTURE OF MOLECULE, DENSITY GRADIENT, ORBITAL LOCATOR AND REACTIVITY OF 5,6-DICHLORO-1-CYCLOPENTYL-2-(METHYLSULFINYL)-1H-BENZIMIDAZOLE- POTENT INHIBITOR OF MAP KINASE, J. Mol. Struct. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0022286023008906

12419 Ryoga Hojo, Bruno T. Luppi, Katrina Bergmann, Zachary M. Hudson, Through-space charge transfer delayed fluorescence in tris(triazolo)triazine donor–acceptor copolymers, Polym. Chem. (2023) https://pubs.rsc.org/en/content/articlelanding/2023/py/d3py00325f/

12420 Jing li Song, Zhi gang Fang, Li Liu, et al., Application of density functional theory to study the electronic structure and magnetic behavior of clusters MnPS3 (M=Fe, Co, Ni; n=0~3), ResearchSquare (2023) https://www.researchsquare.com/article/rs-2919802/v1 (Multiwfn was not properly cited!)

12421 Esmail Vessally, Mehdi Hosseinali, Mohammad Reza Poor Heravi, Bagher Mohammadi, DFT study of the adsorption of simple organic sulfur gases on g-C3N4; periodic and non-periodic approaches, J. Sulfur Chem. (2023) https://www.tandfonline.com/doi/full/10.1080/17415993.2023.2209687

12422 Yuan Xu, Xianwu Jing, Lang Zhou, et al., Influence of Chemical Structure of Fluorinated Surfactants on the Air/Water Interface Properties, Theor. Exp. Chem. (2023) https://link.springer.com/article/10.1007/s11237-023-09767-4

12423 Yiping Liu, Aiyou Hao, Pengyao Xing, Chiroluminophores based on non-conjugated benzenes, Sci. China (2023) https://link.springer.com/article/10.1007/s11426-023-1630-5

12424 Xinjun Jiang, Xiaowei Zhou, Wei Xu, et al., Mechanistic investigation of the influence of defects on armchair unburned carbon for PbCl2 adsorption, Sci. Prog., 106, 1 (2023) https://journals.sagepub.com/doi/pdf/10.1177/00368504231172613

12425 Ali Raza ayub, Muhammad Zeshan, Maroof Ahmad Khan, et al., Nonlinear Optical Properties of Hybrid Materials of Neodymium Metal Doped Boron Nitride: Comprehensively Study via Silico-Technique, J. Inorg. Organomet. Polym. Mater. (2023) https://link.springer.com/article/10.1007/s10904-023-02712-x (Multiwfn was not properly cited!)

12426 Xiaoming Song, Wenzhuo Dong, Xiufang Hou, et al., The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene,
Phys. Chem. Chem. Phys. (2023) https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp00295k/

12427 Valentina A. Karnoukhova, Ivan V. Fedyanin, Ekaterina V. Dubasova, et al., Concerning virial-based estimations of strength of bonding intermolecular interactions in molecular crystals and supramolecular complexes, Mendeleev Commun., 33, 353 (2023) https://www.sciencedirect.com/science/article/abs/pii/S0959943623001335

12428 Yuling Zhang, Hongwei Ren, Baochai Li, et al., Mechanistic insights into the lignin dissolution behavior in amino acid based deep eutectic solvents, Int. J. Biol. Macromol. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0141813023017233

12429 Untung Gunawan, Slamet Ibrahim, Atthar Luqman Ivansyah, Sophi Damayanti, Insights Into the Selective Imprinted Polymer of Voriconazole from Host-Guest Interaction Perspective, J. Mol. Liq. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0167732223009339

12430 Sheryl Cherian Parakkal, Hannah Lalnunfeli, Sidan S., Riya Datta, Spirocyclic isatin-derivative analogues: Solvation, structural, electronic, topological, reactivity properties, and anti-leukaemic biological evaluation, Comput. Theor. Chem., 1225, 114163 (2023) https://www.sciencedirect.com/science/article/abs/pii/S2210271X23001457

12431 Rongyang Xia, Lianjun Hu, Jingwei Cao, et al., Characterization of Octyl Hydroxamic Acid as Inhibitor on Cu Chemical Mechanical Polishing, ECS J. Solid State Sci. Technol. (2023) https://iopscience.iop.org/article/10.1149/2162-8777/acd722/meta (Multiwfn was not properly cited!)

12432 Qiqi Quan, Zhiwei Liu, Zhaodong Li, et al., Authenticating Emergent Adulterant 6-Benzylaminopurine in Bean Sprouts: Virtual Hapten Similarity Enhanced Immunoassay, J. Agric. Food Chem. (2023) https://pubs.acs.org/doi/abs/10.1021/acs.jafc.3c01696

12433 Dandan Pan, Shan Lin, Xiaomei Huang, et al., New polyketides and sesquiterpenoids from the deep-sea sulphide-derived fungus Phoma sp. 3A00413, Fitoterapia (2023) https://www.sciencedirect.com/science/article/abs/pii/S0367326X23001211

12434 Qiao Chen, Mingdong Zhang, Yuanhui Ji, Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms, Front. Chem. Sci. Eng. (2023) https://link.springer.com/article/10.1007/s11705-022-2294-4 (Multiwfn was not properly cited!)

12435 Zhuanfang Jing, Yongquan Zhou, Toshio Yamaguchi, et al., Alkali Metal Ion Recognition by 18-Crown-6 in Aqueous Solutions: Evidence from Local Structures, J. Phys. Chem. B (2023) https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.3c01875

12436 Na Shan, QingQing Wang, Tao Gao, Gas-phase reaction process of water activated by bare and Oxo-Ligated protactinium ions, Chem. Phys. Lett., 825, 140606 (2023) https://www.sciencedirect.com/science/article/abs/pii/S0009261423003111

12437 Chunwei Liu, Zuo Tong How, Yue Ju, et al., Experimental and theoretical insight into carbamazepine degradation by chlorine‐based advanced oxidation processes: Efficiency, energy consumption, mechanism and DBPs formation, J. Environ. Sci. (2023) https://www.sciencedirect.com/science/article/abs/pii/S1001074223002115

12438 Mengjin Zhou, Xiaomin Qiu, Yajuan Qu, et al., Separation mechanism and thermodynamic phase behavior of n-propanol/p-xylene azeotrope from petrochemical wastewater by green solvents, J. Mol. Liq. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0167732223009595

12439 S. Janani, Hemamalini Rajagopal, S. Sakthivel, et al., Comparison of Experimental and Theoretical spectral groups, electronic properties, topological, and molecular docking investigations of 1-N-Cbz-piperidine-4-carboxylic acid- Potential Cancer drug, J. Mol. Struct. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0022286023009286

12440 Xun Zhang, Bin Yang, Zhenqi Zhu, et al., Terahertz Spectral Investigation of L-Cysteine Hydrochloride and its Monohydrate, Spectroscopy, 38, 23 (2023) https://www.spectroscopyonline.com/view/terahertz-spectral-investigation-of-l-cysteine-hydrochloride-and-its-monohydrate

12441 Jayant Teotia, Vikas Kumar, Annu, Shaleen Bhardwaj, Isha Rathi, Experimental (FT‐Raman, FT‐IR and NMR) and theoretical (DFT) calculations, thermodynamic parameters, molecular docking and NLO (non-linear optical) properties of N‐(2,6‐dimethylphenyl)‐1‐piperazineacetamide, Int. J. Mater. Res. (2023) https://www.degruyter.com/document/doi/10.1515/ijmr-2021-8747/html

12442 Wen-luan Xie, Bin Hu, Wen-ming Zhang, et al., Revelation of bimolecular tautomerization induced by the concerted and radical interactions in lignin pyrolysis, J. Energy Chem. (2023) https://www.sciencedirect.com/science/article/abs/pii/S2095495623002917

12443 Sonia Sadiq, Muhammad Waqas, Amna Zahoor, et al., Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cells, J. Mol. Graph. Model., 123, 108518 (2023) https://www.sciencedirect.com/science/article/abs/pii/S109332632300116X

12444 Cunliang Zhang, Yanmei Liu, Haotian Guo, et al., Equilibrium solubility, solvation and dissolution thermodynamics, and DFT study of 18β-glycyrrhetinic acid in solutions of 1,4-dioxane/N,N-dimethylformamide/ethanol/isopropanol + water, J. Chem. Thermodyn., 184, 107090 (2023) https://www.sciencedirect.com/science/article/abs/pii/S0021961423000873

12445 Ankur K. Guha, Oriented electric field stabilized beryllium dimer, Int. J. Quantum Chem. (2023) https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.27138

12446 Hitler Louis, Innocent Benjamin, Anthony C. Iloanya, et al., Functionalized (-HCO, -OH, -NH2) Iridium-doped Graphene (Ir@Gp) nanomaterials for enhanced delivery of Piroxicam: Insights from Quantum Chemical Calculations, J. Mol. Liq. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0167732223008711

12447 Xinyi Wen, Ye-Tao Chen, Jiaxing He, et al., Precise Tuning Near-Infrared Photothermal Conversion of Ternary Cocrystals Via Supramolecular Interactions, RRL Solar (2023) https://onlinelibrary.wiley.com/doi/abs/10.1002/solr.202300262

12448 QiFan Liu, Nuerbiye Aizezi, Bumaliya Abulimiti, et al., Effect of methyl substitution on hydrogen bond structure of anthocyanin, ResearchSquare (2023) https://www.researchsquare.com/article/rs-2869883/v1

12449 Maomao Yao, Ruilong Zhou, Mingshuai Yuan, et al., Multifunctional Semiconducting Fibers for Visual Detection of Sarin Gas, Adv. Fiber Mater. (2023) https://link.springer.com/article/10.1007/s42765-023-00296-2

12450 S. Dharani, G. Kalaiarasi, Vincent M. Lynch, R. Shankar, R. Prabhakaran, Unpredicted coordination of hydrogen chloride in organoruthenium(II) pyrazolone complex: Synthesis, Spectral and Structural characterization, Inorg. Chem. Commun. (2023) https://www.sciencedirect.com/science/article/abs/pii/S1387700323004616

12451 Xinghua Wang, Kai Yang, Ya-Nan Wang, et al., Origins of Catalyst-Controlled Chemoselectivity in Transition-Metal-Catalyzed Divergent Epoxide Conversion, ACS Catal., 13, 7616 (2023) https://pubs.acs.org/doi/abs/10.1021/acscatal.3c01022

12452 Chongchong Liu, Lijing Wang, Peifang Wang, et al., Extraordinarily selective regulation of singlet oxygen in peroxymonosulfate activation via bimetallic hybridization coupling vacancy engineering for wastewater remediation, Sep. Purif. Technol. (2023) https://www.sciencedirect.com/science/article/abs/pii/S1383586623010377

12453 Tong Wang, Ning Wang, Minghao Wang, et al., Theoretical exploration and experimental regulation of the degradation of Δ9-tetrahydrocannabinol in hemp seed oil by density functional theory, Food Res. Int., 170, 112996 (2023) https://www.sciencedirect.com/science/article/abs/pii/S0963996923005410

12454 Zezhi Lin, Wei Cao, Jianjun Zhang, et al., Specific separation of flavonoids isomers by defect modulated metal-organic framework HKUST-1: Experiment and density functional theory analysis, Appl. Surf. Sci. (2023) https://www.sciencedirect.com/science/article/abs/pii/S0169433223012709

12455 Chiara Salvitti, Nuno A. G. Bandeira, Federico Pepi, et al., Sulphur Dioxide Oxidation by Zinc and Zinc Oxide Nitrate/Nitrite Complexes in the Gas Phase: An Interplay between Redox-Active Ligands and Metal., Chem. Eur. J. (2023) https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202301221