Sheida Ahmadi

机构：Payame Noor University · ORCID：0000-0003-1580-1495

发表论文 61 篇 · 总被引 948 次 · h-index 17

代表论文

• Separation of CH4/N2 gas mixture using MFI zeolite nanosheet: Insights from molecular dynamics simulation (2022 · Colloids and Surfaces A Physicochemical and Engineering Aspects · 被引 22)
• Characterization of IR spectroscopy, APT charge, ESP maps, and AIM analysis of C 20 and its C 20‐n Al n heterofullerene analogous ( n = 1–5) using DFT (2021 · Journal of Physical Organic Chemistry · 被引 15)
• Thermodynamic stability, structural and electronic properties for the C20-nAln heterofullerenes (n = 1–5): a DFT study (2021 · Journal of Molecular Modeling · 被引 15)
• Characterization of titanium influences on structure and thermodynamic stability of novel C20-nTin nanofullerenes (n=1–5): a density functional perspective (2021 · Journal of Molecular Modeling · 被引 13)
• A density functional theory investigation on 1H-4-germapyridine-4-ylidene & the unsaturated heterocyclic substituted ones (2021 · Journal of Molecular Structure · 被引 13)
• Adsorption of sulfur mustard on the transition metals (TM = Ti2+, Cr2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) porphyrins induced in carbon nanocone (TM-PCNC): Insight from DFT calculation (2024 · Journal of Molecular Graphics and Modelling · 被引 12)