Lv41
512 积分 2024-12-31 加入
Dependence of the magnetic interactions in MoS 2 monolayer on Mn-doping configurations
4小时前
待确认
Adsorption of toxic gases by transition metal doped Ti 2 CO 2 MXene: a DFT study
1个月前
已完结
Comprehensive study of 1,2,4-triazolo[1,5]benzodiazepine derivatives: Synthesis, characterization, X-ray diffraction, DFT calculations, Hirshfeld surface analysis, ADMET properties, and molecular docking
1个月前
已关闭
Structural elucidation, Hirshfeld surface, DFT, molecular docking and molecular dynamics studies of a novel thiazole derivative as anti-cancer drug
1个月前
已关闭
Synthesis, crystal structure, DFT, and drug-likeness evaluation of an oxadiazole-based compound with biological potential
1个月前
已关闭
Design, synthesis, structural characterization, and DFT approach of a new bis-Schiff base-derived sulfonyldianiline: Thermal and nonlinear optical performances in a fluid system
1个月前
已关闭
Spectroscopic, structural, and biological insights into novel naphthalene- and anthracene-based sulfonamides
1个月前
已关闭
TM-Doped ZnO monolayers as indoor toxic gas sensors: A first-principles study
3个月前
已完结
Adsorption of CO, NO and H 2 S on Na-modified H-GaN: A DFT study
3个月前
已完结
Adsorption of CO, NO and H 2 S on Na-modified H-GaN: A DFT study
3个月前
已完结
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