Ushbu ishga iqtibos qilgan ishlar

7 ta ish

Ish: From molecules to solids with the DMol3 approach

1. Two-dimensional metallic Si2BC as a promising and high-performance anode material for magnesium-ion batteries: A DFT study

   Qamar Abuhassan, Mohamed Abu Shuheil, Luma Hussain Saleh +8

   MaqolaAdvancements in Battery MaterialsComputational and Theoretical Chemistry20261 iqtibos

   ABIABI:AkademIndex/openalex/2026.article.000403

2. Electrifying Schiff-based networks as model catalysts towards deeply understanding the crucial role of sp2-carbon in nitrogen-doped carbocatalyst for oxygen reduction reaction

   Zhichang Xiao, Xiaofeng Mou, Xu-Feng Meng +7

   MaqolaElectrocatalysts for Energy ConversionApplied Surface Science20220 iqtibos

   ABIABI:AkademIndex/openalex/2022.article.000656

3. Indirect oxidation mechanism governing in P-rGO/Ti anode with C2-PO2/rGO configuration for efficient 2-Methyl-4-Isothiazolin-3-one electrooxidation

   Ruijun Ren, Zhihui Xiao, Xiaomeng Shang +10

   MaqolaAdvanced oxidation water treatmentChemical Engineering Journal20230 iqtibos

   ABIABI:AkademIndex/openalex/2023.article.001228

4. Enhancing CO2 adsorption capacity of C60 fullerene through boron doping and lithium decoration: A DFT study

   Qamar Abuhassan, Omayma Salim Waleed, G. Padma Priya +8

   MaqolaFullerene Chemistry and ApplicationsPolyhedron20260 iqtibos

   ABIABI:AkademIndex/openalex/2026.article.007283

5. Lithium-decorated porous BC ₂ P monolayer: a novel high-capacity material for efficient and reversible hydrogen molecule storage

   Qamar Abuhassan, Luma Hussain Saleh, G. PadmaPriya +8

   MaqolaBoron and Carbon Nanomaterials ResearchNew Journal of Chemistry20260 iqtibos

   ABIABI:AkademIndex/openalex/2026.article.009193

6. DFT, spectroscopic and MD insights into teneligliptin (TLG) adsorption on Cu3 and Cu(111): Implications for SERS sensing and drug-metal interfaces

   Jamelah S. Al-Otaib, Y. Sheena Mary, Mirjalol Ismoilov +2

   MaqolaGold and Silver Nanoparticles Synthesis and ApplicationsSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20260 iqtibos

   ABIABI:AkademIndex/openalex/2026.article.010539

7. Metal-decorated carbon-doped BN fullerenes as highly efficient materials for solid-state hydrogen storage: insights from DFT calculations

   Qamar Abuhassan, Luma Hussain Saleh, G. PadmaPriya +8

   MaqolaBoron and Carbon Nanomaterials ResearchNew Journal of Chemistry20260 iqtibos

   ABIABI:AkademIndex/openalex/2026.article.011797