Nanomedicine Research Journal

Keywords = Density Functional Theory

Number of Articles: 6

A Comparative DFT Study of Acrylamide Adsorption on X₁₂Y₁₂ (X: B, Al; Y: N, P) Nanocages

Articles in Press, Accepted Manuscript, Available Online from 20 September 2026

10.22034/nmrj.2026.2096686.1852

Walaa Mohammed Najem, Ivan Farhan Jawad, Fatemeh Sadat Hosseininasab, Huseyn Imanov, Akram Hosseinian, Roya Ahmadi

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Chloralhydrate Adsorption on the Surface of C8B6N6 Nanocluster: A DFT Outlook

Volume 11, Issue 2, Spring 2026, Pages 188-198

10.22034/nmrj.2026.02.009

Khadijeh Didehban, Shoira Ibatova, Rustam Turakulov, Maxsuda Tuxtayeva, Nasiba Nasrulloyeva, Akram Hosseinian, Sarvin Mohammadi-Aghdam, Sepideh Habibzadeh

Nitrazepam Detection and Adsorptive Removal by BN Nanocluster (B₁₂N₁₂): DFT Simulations

Volume 10, Issue 2, Spring 2025, Pages 171-178

10.22034/nmrj.2025.02.008

Zahra Rostami, Sheida Ahmadi, Parvaneh Dalir Kheirollahi Nezhad, Huseyn A. Imanov, Sumit Kaushal

DFT Studies on the performance of Pristine and Si-doped Fullerenes (C20 and SiC19) as Adsorbent and Sensor for Methyl Paraben

Volume 9, Issue 1, Winter 2024, Pages 71-79

10.22034/nmrj.2024.01.008

Mohammad Reza Jalali Sarvestani, Mahnaz Qomi, Simin Arabi

Norfloxacin Adsorption on the Surface of B12N12 and Al12N12 Nanoclusters: A Comparative DFT Study

Volume 8, Issue 4, Autumn 2023, Pages 393-400

10.22034/nmrj.2023.04.008

Mohammad Reza Jalali Sarvestani, Mahnaz Qomi, Simin Arabi

A theoretical investigation of the interaction of Immucillin-A with N-doped TiO₂ anatase nanoparticles: Applications to nanobiosensors and nanocarriers

Volume 2, Issue 1, Winter 2017, Pages 7-17

10.22034/nmrj.2017.22964

Amirali Abbasi, Jaber Jahanbin Sardroodi

A theoretical investigation of the interaction of Immucillin-A with N-doped TiO<sub>2</sub> anatase nanoparticles: Applications to nanobiosensors and nanocarriers