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2661 Enhanced hydrogen production from methanol steam reforming on a single-atom Pd-doped copper catalyst: a theoretical study Article
2662 Feasibility of qualitative identification of some metal elements in rice grains using laser desorption ionization-time of flight mass spectrometry Article
2663 A theoretical study on the corrosion inhibition of Cu surfaces using 4-amino-3-thioxo-6-methyl-1,2,4-triazine-5-one and its derivatives Article
2664 Photo-chargeable asymmetric supercapacitors based on FeVO4 dual-function photoelectrodes: A new energy harvesting and storage integrated device Article
2665 A comparative DFT evaluation of the photocatalytic activity and NLO properties of monolayer two-dimensional M3X4 (M = C, Si, Ge; X = N, P, As) quantum dots Article
2666 Photocatalytic oxidative desulfurization of a model fuel using S-doped TiO2/BiVO4 composites: A combination of experimental and theoretical study Article
2667 A density functional theory and experimental investigation of ammonia decomposition using mesoporous cobalt-based nanocatalysts for hydrogen production Article
2668 Energy decomposition of the ibuprofen-COX-2 interaction using MD and SAPT(DFT) methods Article
2669 Correlation between Thermodynamics and Collision Cross Sections in Ion-Modifier Clustering: Experimental and Theoretical Insights into Nitroaromatic Isomer Separation by Corona Discharge Drift Tube Ion Mobility Spectrometry Article
2670 Para methyl red dye complexation with the (100) and (111) TaON and (101) TiO2 monolayer nanosheets for dye-sensitized solar cell application: periodic and non-periodic DFT calculations Article
2671 Adsorption of the corrosion inhibitor benzotriazole on Cu(111), Zn(111), ZnCu(111) and Zn3Cu(111) nanosurfaces Article
2672 DFT Investigation of Na/Na+(Fe3O4)n and Na/Na+(Fe2O3)n Nanoclusters: Mechanistic Insights into Na Thermal Ionization Article
2673 Polypyridyl Ru(III), Rh(III), and Pd(II) complexes as electrocatalysts for acidic hydrogen evolution reaction Article
2674 Impact of tautomerism on copper corrosion inhibition by 3-amino-1,2,4-triazole-5-thiol: A DFT and Monte Carlo study Article
2675 Enhancing carminic acid anticancer potential: transforming a conventional nanocarrier to a multifunctional therapeutic nanoplatform for photodynamic ROS generation and FRET-based tracking Article
2676 Gas-Phase Dipeptide Fragmentation Catalyzed by Alkali Metal Ions (Li+ and Na+): Revealing an Alternative Pathway for Gas-Phase Peptide Formation Article
2677 Investigation of the substitution impacts on 2-mercaptobenzothiazole (2-MBT) derivatives as volatile corrosion inhibitor: A DFT study Article
2678 Optoelectronic and Photovoltaic Insights into C2N/Dye Interfaces for Efficient Solar Energy Conversion: A Theoretical Study Article
2679 Environmental factors influencing the distribution of endangered endemic species Hedysarum criniferum Boiss in arid and semi-arid rangelands Iran Article
2680 تعيين آشيان اكولوژيك بالقوه علف بره (Festuca ovina L.) با مدل هاي الگوريتم ژنتيك (GARP) و قلمرو (DOMAIN) در مراتع استان اصفهان Article