| Theoretical study on the Al-doped biphenylene nanosheets as NO sensors MR Hosseini, R Esfandiarpour, S Taghipour, F Badalkhani-Khamseh Chemical Physics Letters 754, 137712, 2020 | 46 | 2020 |
| Adsorption behavior of pristine, Al-, and Si-doped carbon nanotubes upon 5-fluorouracil M Yahyavi, F Badalkhani-Khamseh, NL Hadipour Chemical Physics Letters 750, 137492, 2020 | 38 | 2020 |
| Influence of dendrimer surface chemistry and pH on the binding and release pattern of chalcone studied by molecular dynamics simulations F Badalkhani‐Khamseh, A Ebrahim‐Habibi, NL Hadipour Journal of Molecular Recognition 32 (1), e2757, 2019 | 31 | 2019 |
| PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method S Bazyari-Delavar, F Badalkhani-Khamseh, A Ebrahim-Habibi, ... Journal of Nanoparticle Research 23, 1-12, 2021 | 28 | 2021 |
| Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT) S Bazyari-Delavar, F Badalkhani-Khamseh, A Ebrahim-Habibi, ... Computational and Theoretical Chemistry 1189, 112983, 2020 | 28 | 2020 |
| Atomistic computer simulations on multi-loaded PAMAM dendrimers: A comparison of amine-and hydroxyl-terminated dendrimers F Badalkhani-Khamseh, A Ebrahim-Habibi, NL Hadipour Journal of computer-aided molecular design 31, 1097-1111, 2017 | 28 | 2017 |
| Heteroatom-containing phosphoramides as carbon steel corrosion inhibitors: Density functional theory and molecular dynamics simulations K Gholivand, L Sarmadi-Babaee, M Faraghi, F Badalkhani-Khamseh, ... Chemical Physics Impact 5, 100099, 2022 | 27 | 2022 |
| Complexation of nicotinic acid with first generation poly (amidoamine) dendrimers: A microscopic view from density functional theory F Badalkhani-Khamseh, A Bahrami, A Ebrahim-Habibi, NL Hadipour Chemical Physics Letters 684, 103-112, 2017 | 25 | 2017 |
| Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations R Esfandiarpour, F Badalkhani-Khamseh, NL Hadipour Colloids and Surfaces B: Biointerfaces 215, 112513, 2022 | 22 | 2022 |
| Molecular structure and intramolecular hydrogen bonding in 2-hydroxybenzophenones: A theoretical study M Zahedi-Tabrizi, SF Tayyari, F Badalkhani-Khamseh, R Ghomi, ... Journal of Chemical Sciences 126, 919-929, 2014 | 21 | 2014 |
| Evaluation of newly synthesized phosphoramide derivatives as mild steel anti-corrosions using experimental and theoretical approaches K Gholivand, M Faraghi, M Mirzaei-Saatlo, F Badalkhani-Khamseh, ... Journal of Molecular Structure 1274, 134505, 2023 | 20 | 2023 |
| Evaluation of BLG ability for binding to 5-FU and Irinotecan simultaneously under acidic condition: A spectroscopic, molecular docking and molecular dynamic simulation study U Sahebi, H Gholami, B Ghalandari, F Badalkhani-khamseh, A Nikzamir, ... Journal of Molecular Liquids 344, 117758, 2021 | 19 | 2021 |
| Folic acid functionalized carbon nanotubes as pH controlled carriers of fluorouracil: Molecular dynamics simulations M Yahyavi, F Badalkhani-Khamseh, NL Hadipour Journal of Molecular Liquids 377, 121393, 2023 | 16 | 2023 |
| Carbon dioxide sensor device based on biphenylene nanotube: A density functional theory study R Esfandiarpour, F Zamanian, F Badalkhani-Khamseh, MR Hosseini Computational and Theoretical Chemistry 1218, 113939, 2022 | 15 | 2022 |
| Protein binding and anticancer activity of two newly synthesized Schiff base platinum (II) complexes: A theoretical and experimental study MR Abolhassan, A Divsalar, F Badalkhani-khamseh, N Kheiripour, ... Journal of Molecular Structure 1289, 135917, 2023 | 12 | 2023 |
| PEGylated PAMAM dendrimers as eptifibatide nanocarriers: An atomistic view from molecular dynamics simulations F Badalkhani-Khamseh, A Ebrahim-Habibi, NL Hadipour, M Behmanesh Chemical Engineering Science 267, 118283, 2023 | 11 | 2023 |
| Exploring the sensitivity of pristine and Al-doped boron nitride biphenylene nanosheets towards COx (x= 1, 2) gas using density functional theory F Badalkhani-Khamseh, N Habibzadeh, MR Hosseini, R Esfandiarpour Journal of Molecular Liquids 398, 124289, 2024 | 7 | 2024 |
| Theoretical studies of phosphorene as a drug delivery nanocarrier for fluorouracil R Esfandiarpour, F Badalkhani-Khamseh, NL Hadipour RSC advances 13 (26), 18058-18069, 2023 | 7 | 2023 |
| Oxali-palladium nanoparticle synthesis, characterization, protein binding, and apoptosis induction in colorectal cancer cells N Golestannezhad, A Divsalar, F Badalkhani-Khamseh, M Rasouli, ... Journal of Materials Science: Materials in Medicine 35 (1), 4, 2024 | 6 | 2024 |
| Effect of methyl groups substitution on the strength of intramolecular hydrogen bonding of naphthazarin: DFT and NBO studies M Zahedi-Tabrizi, F Badalkhani-Khamseh Journal of the Iranian Chemical Society 10, 685-694, 2013 | 4 | 2013 |
Nasser L. HadipourTarbiat Modares UniversityПідтверджена електронна адреса в iran.ir