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:
1-50005001-1000010001-1500015001-present

Note that this is just an incomplete statistics.

17001 Yan Chen, Mingcong Yang, Wei Hu, et al., Tailoring the Periphery Aliphatic Group of Cathode Organosulfide for Rechargeable High-Performance All-Solid-State Lithium Battery, Energy Environ. Mater. (2024) https://onlinelibrary.wiley.com/doi/10.1002/eem2.12819

17002 Jing Wang, Lei Zhuang, Enze Gao, et al., Dissociation of HBr in Water Clusters Based on a Hybrid Density Functional Approach, J. Phys. Chem. A (2024) https://pubs.acs.org/doi/abs/10.1021/acs.jpca.4c02966

17003 Sumit Naskar, Mousumi Das, The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins, Mol. Phys. (2024) https://www.tandfonline.com/doi/abs/10.1080/00268976.2024.2386385

17004 Ivan V. Ananyev, Leonid L. Fershtat, Probing transferability of intermolecular interactions by their features: a nitro group case study, Mendeleev Commun., 34, 540 (2024) https://www.sciencedirect.com/science/article/pii/S0959943624002001

17005 Swapan Sinha, Subhra Das, Kritish Ray, et al., In-silico Investigation on the Separation of Disulfide Bond by N- Heterocyclic Carbene, Phys. Chem. Chem. Phys. (2024) https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp02672a/

17006 Haruka Kataoka, Yuya Kakumu, Davidson Obinna Agbo, et al., Computational Study on the Conformational Flexibility-Mediated Intramolecular Oxidative Spirocyclization of Procyanidin B4, J. Org. Chem. (2024) https://pubs.acs.org/doi/abs/10.1021/acs.joc.4c01183

17007 Iodide Cd(II) Complexes with 2-Halogen-substituted Pyridines: Structures and Features of Halogen Bond in Solid, Russ. J. Inorg. Chem. (2024) https://link.springer.com/article/10.1134/S0036023624601260

17008 G.S. Gopika Krishnan, K. Muraleedharan, Phenyl-Urea Chromophores: DFT Insights into Nonlinear Optical Enhancement, Mater. Today Commun. (2024) https://www.sciencedirect.com/science/article/pii/S2352492824020609

17009 Jiaxin Wang, Yongjie Wang, Shujing Zhang, et al., Effect of Temperature on l-Pyroglutamic Acid Solubility in Organic Solvents: Experimental, Molecular Dynamics Simulation, and Thermodynamic Analysis, J. Chem. Eng. Data (2024) https://pubs.acs.org/doi/abs/10.1021/acs.jced.4c00135

17010 Rahadian Zainul, Ibrahim Saeed Gataa, Zainab Younus Abdullah, et al., Investigation of the anticancer, antibacterial, and anti-inflammatory activity of (R)-(−)-carvone and (S)-(+)-carvone essential oils on Ag13, Ag13-, and Ag13+ silver nanoclusters: A computational study, Inorg. Chem. Commun. (2024) https://www.sciencedirect.com/science/article/pii/S138770032400950X

17011 Erwin García-Hernández, Alba M. García-Crisóstomo, Luz Palomino-Asencio, et al., Impact of the edge of boron-nitride dots on the adsorption of clothianidin and dinotefuran insecticides, Comput. Theor. Chem. (2024) https://www.sciencedirect.com/science/article/pii/S2210271X24003451

17012 Qiao Hu, Guangming Han, Aiping Wang, et al., Functionalized MOF enables stable cycling of nickel-rich layered oxides for lithium-ion batteries, Chem. Eng. J., 497, 154608 (2024) https://www.sciencedirect.com/science/article/pii/S1385894724060996

17013 Li-Ping Zhang, Guo-Wei Guan, Yi-Tao Li, et al., Amino-Functionalized Metal–Organic Frameworks Featuring Ultra-Strong Ethane Nano-Traps for Efficient C2H6/C2H4 Separation, Small (2024) https://onlinelibrary.wiley.com/doi/abs/10.1002/smll.202402382

17014 Qinqin Yuan, Ziheng Zhang, Xiangtao Kong, et al., Photodetachment photoelectron spectroscopy shows isomer-specific proton-coupled electron transfer reactions in phenolic nitrate complexes, Commun. Chem., 7, 176 (2024) https://www.nature.com/articles/s42004-024-01257-5

17015 Shi Wang, Hanpei Yang, Qiyu Jin, et al., Optimized the transfer dynamics of photogenerated carriers on S-scheme heterojunction induced by poly(o-phenylenediamine): The pivotal role in interface coupling, Appl. Catal. B (2024) https://www.sciencedirect.com/science/article/pii/S0926337324008063

17016 Heng Zhang, Ying Ma, Shiling Yuan, Molecular Dynamics Study on Adsorption and Desorption of the Model Oligosaccharide above Polymer Antifouling Membranes, Langmuir (2024) https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.4c01353

17017 Xueze Zhao, Ryan M. Young, Chun Tang, et al., Manipulating symmetry-breaking charge separation employing molecular recognition, Chem (2024) https://www.cell.com/chem/abstract/S2451-9294(24)00353-X

17018 Chuan-Ming Dai, Jiaping Xu, Xin Xu, et al., Spectroscopic Characterization of the 1-Boratricyclo-[4.1.0.02,7]-heptane Radical with a Delocalized Four-Center-One-Electron Bond, JACS Au (2024) https://pubs.acs.org/doi/full/10.1021/jacsau.4c00492

17019 Teng Zhang, Kun Yang, Danyang Liu, et al., Autocatalytic Mechanism Induced by NO2– Ion with Effect of Proton-Coupled Electron Transfer in Early Pyrolysis of Azacyclo-Nitramine Compounds RDX: a New Path of Denitration Reaction, J. Phys. Chem. C (2024) https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.4c03265

17020 Alaka Nanda Pradhan, Subhash Bairagi, Sundargopal Ghosh, Reactivity of [(Cp*CoPh)(Cp*Co)(μ-TePh)(μ-k2-Te,H-TeBH3)] Toward [M(CO)5·THF] (M = Mo and W), CS2, and [Fe2(CO)9], Inorg. Chem. (2024) https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.4c01430

17021 Tejas Shah, Mihaela C. Stefan, Hedieh Torabifard, Dynamics of amphiphilic poly(ε-caprolactone) micelles with doxorubicin and transition temperature predictions using all-atom molecular dynamics simulation, ChemRxiv (2024) https://chemrxiv.org/engage/chemrxiv/article-details/66b29f755101a2ffa84caba6