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Journal of Molecular Modeling|July 11, 2024
Potential of V-Si72, V-C72, and V-Al36N36 as catalysts for oxygen reduction reactionDujuan LiJournal of Molecular Modeling|August 29, 2024
First-principles study of the structure, electronic and optical properties of monolayer ZrX3 (X = S, Se, Te)Zhi-Yuan Qiu, Ya-Le Tao, Qi-Jun Liu, et al.Journal of Molecular Modeling|August 14, 2024
Enhanced thermoelectric performance of Hf-doped ZrNiSn: a first principle studyDi Cao, Jiannong CaoJournal of Molecular Modeling|September 2, 2024
Advancing rational pesticide development against Drosophila suzukii: bioinformatics tools and applications-a systematic reviewTarcisio Silva Melo, Bruno Silva AndradeJournal of Molecular Modeling|June 20, 2024
Microsolvation of cobalt, nickel, and copper atoms with ammonia: a theoretical study of the solvated electron precursorsMohammad Esmaïl Alikhani, Bruno Madebène, Bernard SilviJournal of Molecular Modeling|June 19, 2024
Diffusion of curcumin in PLGA-based carriers for drug delivery: a molecular dynamics studyAlessandro De Giorgi, Francesco Maria Bellussi, Stefano Parlani, et al.Journal of Molecular Modeling|June 18, 2024
Extraction of uranyl from spent nuclear fuel wastewater via complexation-a local vibrational mode studyBárbara M T C Peluzo, Renaldo T Moura, Elfi KrakaJournal of Molecular Modeling|June 22, 2024
Thermal decomposition mechanism of HMX/HTPB hybrid explosives studied by reactive molecular dynamicsFang Chen, Tianhao Li, Linxiu Zhao, et al.Journal of Molecular Modeling|June 17, 2024
Simulations on coal water slurry gasification by molecular dynamics method with ReaxFFJunjie Zhou, Juan Wang, Songzhen Tang, et al.Journal of Molecular Modeling|May 1, 2024
Performance analysis of un-doped and doped titania (TiO ) as an electron transport layer (ETL) for perovskite solar cellsNeerja Dharmale, Aadhityan A, Ashutosh Srivastava, et al.Pageof 696