نام و نام خانوادگی رضوان رحیمی شغل دانشجو دانشگاه اراک تحصیلات شیمی فیزیک وبسایت پست الکترونیک — مقاله چاپشده مقاله ارائهشده کتاب پایان نامه های تقاضا محور و غیر تقاضا محور طرح پژوهشی خاتمهیافته افتخارات و جوایز استانی، کشوری و بینالمللی برگزاری همایش ابداع اثر بدیع و ارزنده هنری عنوانمجله 1 In silico investigation combining ADMET prediction, periodic DFT calculations, molecular docking, and nanocarrier-based drug delivery analysis for leukemia drugs using a B₂N nanosheet Diamond & Related Materials 2 H2S sensing and SO2 removal utilizing 2D polyaramid: A DFT study Surfaces and Interfaces 3 B3C2N3 monolayer with vacancy defects decorated with lithium as a potential hydrogen storage system: a DFT study Physical Chemistry Chemical Physics 4 Pentagonal BCN monolayer: A novel nanomaterial for adsorbing and sensing toxic gases from SF6 decomposition Surfaces and Interfaces 5 A computational exploration of promising sensing of lung cancer biomarkers using a novel polyaramid nanosheet Journal of Molecular Liquids 6 Fish spoilage assessment through detection of volatile amines using penta-graphene and penta-B₂C monolayers: A DFT study Surfaces and Interfaces 7 A Novel Polyaramid Nanosheet for Sensing and Drug Delivery of Gemcitabine Anticancer Drug: A Computational Exploration BioNanoScience 8 DFT investigation of reversible hydrogen storage employing Li-decorated δ-5 boron monolayers Materials Science in Semiconductor Processing 9 Exploring the performance of pristine and vacancy-defected B3C2N3 nanosheets for the detection and removal of environmentally harmful radicals: a DFT study† NEW JOURNAL OF CHEMISTRY 10 In silico study of salicylic acid derivatives as inhibitors of Ebola proteins through molecular docking Computational Biology and Chemistry 11 Lithium decoration on B3O3 monolayer for enhanced reversible hydrogen storage: a DFT study Journal of nanoparticle research 12 High performance of a vacancy-defected B3C2N3 nanosheets for lithium storage in Li-ion batteries: A first-principles study Materials Science in Semiconductor Processing 13 Electronic transport and photoelectric properties of WTe2‑MoTe2 heterostructure transistor optical and quantum electronics 14 High capacity CO₂ capture by α-BeH₂ nanosheet through charge modulation: A first-principles study Materials Science in Semiconductor Processing 15 DFT study of the adsorption properties and sensitivity of a B2N monolayer toward harmful gases Scientific Reports 16 B3C2N3 monolayer as a potential biosensor for the sensitive and selective detection of liver cancer biomarkers: A DFT study Materials Science in Semiconductor Processing 17 Exploring the adsorption behavior of Ocontaining VOCs in human breath on a B2N monolayer using DFT simulations Physical Chemistry Chemical Physics 18 Adsorption capability and sensitivity of a pentagonal BCP nanosheet toward S‑containing pollutant gases: a DFT outlook Journal of nanoparticle research 19 Title Cited by Year Adsorption of arsenite (As3+) ions pollution by synthesized BC2N graphene-like nanosheets: DFT investigation Materials Science in Semiconductor Processing 20 Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study Molecular Physics 21 A novel pentagonal BCN monolayer for sensing and drug delivery of nitrosourea and hydroxyurea anticancer drugs: A DFT outlook Materials Science in Semiconductor Processing 22 A study combining DFT and molecular dynamics simulations into the performance of B6N6 nanosheets for CO2 capture and separatio Applied Physics A 23 Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study Molecular Physics 24 H i g h l y e f f i c i e n t H2S capture using pentagonal B2C monolayer: A periodic DFT study International Journal of Quantum Chemistry 25 Sensing response of pentagonal B2C nanosheet towards VOCs: A study combining DFT and molecular dynamics simulations Chemical Physics 26 In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug Journal of Drug Delivery Science and Technology 27 A periodic DFT study on superior adsorption of an azo dye over B3O3 monolayer Colloid & Nanoscience Journal 28 پHigh sensitivity of 2D covalent triazine framework for recognition of NO, NO2, and HO2 radicals: A periodic DFT study Chemical Physics Letters 29 Two-dimensional covalent triazine frameworks as a superior nanocarrier for drug delivery of thioguanine anti-cancer drugs: A periodic DFT study NEW JOURNAL OF CHEMISTRY 30 Empowering hydrogen storage performance of B4C3 monolayer through decoration with lithium: A DFT study SURFACES AND INTERFACES 31 Potential application of XC3 (X = B, N) nanosheets in drug delivery of hydroxyurea anticancer drug: a comparative DFT study MOLECULAR PHYSICS 32 B3O3 monolayer with dual application in sensing of COVID-19 biomarkers and drug delivery for treatment purposes: A periodic DFT study Journal of Molecular Liquids 33 First‑principles studies on two‑dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug Journal of Molecular Modeling 34 B3O3 monolayer: an emerging 2D material for CO2 capture NEW JOURNAL OF CHEMISTRY 35 Sensing ability of 2D Al2C monolayer toward toxic pnictogen hydrides: A first-principles perspective Sensors and Actuators A: Physical 36 Gas-sensing performance of BC3 nanotubes for detecting poisonous cyanogen gas: a periodic DFT approach NEW JOURNAL OF CHEMISTRY 37 High-Performance Hydrogen Storage Properties of Li-Decorated B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 38 High-Performance Hydrogen Storage Properties of Li-Decorated 2 B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 39 Periodic DFT insights into hydrogen storage of a B4CN3 nanosheet NEW JOURNAL OF CHEMISTRY 40 Pristine B3CN4 monolayer for hydrogen storage: A first-principles approach Physics Letters A 41 Hydrogen storage on pristine and Li-decorated BC6N monolayer from first-principles insights MOLECULAR PHYSICS 42 Li-decorated Al2C monolayer as a potential template for hydrogen storage: A first-principles perspective International Journal of Quantum Chemistry 43 First-principles survey on the pristine BC2N monolayer as a promising vehicle for delivery of β-lapachone anticancer drug Journal of Molecular Liquids 44 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 45 Ab initio calculations and molecular dynamics simulation of H2 adsorption on CN3Be3+ cluster Structural Chemistry 46 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 47 First-principles study of superior hydrogen storage performance of Li-decorated Be2N6 monolayer International Journal of Hydrogen Energy 48 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 49 The potential application of borazine (B3N3)-doped nanographene decorated with halides as anode materials for Li-ion batteries: a first-principles study Journal of Molecular Modeling 50 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 51 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 52 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 53 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 54 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 55 Electronic properties of B12N12 fullerene–like nanoclusters functionalized with Schiff bases: a DFT study Structural Chemistry 56 Can bowl-like B30 nanostructure sense toxic cyanogen gas in air?: a theoretical study MOLECULAR PHYSICS 57 Adsorption of rare gases on the C20 nanocage: A theoretical investigation Materials Research Express 58 A computational study for the B30 bowl-like nanostructure as a possible candidate for drug delivery system for amantadine Computational and Theoretical Chemistry