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90 积分 2025-12-03 加入
Enhancing the antioxidant potential of a coumarin derivative via nickel complexation: synthesis, spectral insights, DFT analysis, and molecular docking
5个月前
已完结
Synthesis, Characterization, and In Silico Evaluation of (E)-2-((4-Methylbenzyl)oxy)-N'-(thiophen-2-ylmethylene)benzohydrazide: DFT, NLO Properties, Pharmacokinetic Analysis, and Molecular Docking Studies for STAT3 Inhibition and Anticancer Activity
5个月前
已完结
Exploring novel ethyl carbazate salts of 2-thiobarbituric acid: DFT-based reactivity, antimicrobial docking, toxicological evaluation and nitrophenol reduction catalysis
5个月前
已关闭
Structural dynamics of a phenoxy-bridged heteronuclear Cu(II)/Hg(II)-Salen complex: synthesis, characterization, DFT insights, and Hirshfeld surface analysis
5个月前
已完结
DFT study on radon adsorption by graphene oxide quantum dots from optically radioactive environment, using three organic functional groups: a new approach to wastewater treatment
5个月前
已完结
Investigation on the structure, optical, thermal, Z-scan, and DFT characteristics of nitrobenzimidazolium phthalate monohydrate single crystal
5个月前
已完结
A co-simulation method for flowing diode pumped alkali lasers
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