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فارسی
Mahdi Rezaei Sameti

Mahdi Rezaei Sameti

Academic rank: Associate Professor
ORCID:
Education: PhD.
ScopusId:
HIndex:
Faculty: science
Address: Department of applied chemistry,Faculty science, Malayer University, Malayer, Iran
Phone: 32355404
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Education

  • BSc. in Applied chemistry , BU Ali Sina university , Iran (1989 - 1993)
    Thesis title:
  • PhD. in physical chemistry , BU Ali Sina university , Iran (2001 - 2005)
    Thesis title:
  • MSc. in physical chemistry , Tarbiat Modares university , Iran (1993 - 1996)
    Thesis title:
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Courses

Bachelor Of Science
Master Of Science

Research activities

Journal Papers
A quantum assessment of the interaction between Si12C12, BSi11C12, BSi12C11, NSi11C12 and NSi12C11 nanocages with Glycine amino acid: A DFT, TD-DFT and AIM study Mahdi Rezaei Sameti, Maryam Barandisheh Naghibi (2024)
Theoretical evaluation of C24 nanocage functionalization with protons for enhanced sulfacetamide drug delivery: A DFT study with non-covalent interaction analyses Mahdi Rezaei Sameti, Maryam Torkashvand (2024)
Studying the capability of graphene, BC3, and NC3 nanofakes as Busulfan drug carriers in the presence of static electric feld and solvent efects: quantum mechanical calculations Mahdi Rezaei Sameti, A B (2024)
Evaluating the drug delivery potential of graphene, BC3, and NC3 nanosheets for cyclophosphamide: A computational study analyzing static electric field and solvent effects through DFT, TD-DFT, and NLO techniques Mahdi Rezaei Sameti (2024)
A computational assessment of the interaction of 5Fluorouracil (5FU) drug connected to B12P12 and ScB11P12 nanocages with adenine nucleobase: DFT, AIM, TD‑DFT study Mahdi Rezaei Sameti (2023)
Assessment of the Capability and Potential of Pristine, Sc-, Ti-, and Ni-Doped C24 Nanocages to Delivery and Sensor Property of Prothionamide Drug: Insight of DFT, TD-DFT Computational Methods Mahdi Rezaei Sameti (2023)
Computational study of the effects of static electric field on the interaction of 5‑Fluorouracil anti‑cancer drug with pristine and Sc‑ and Ti‑doped B12P12 nanocage as drug delivery Mahdi Rezaei Sameti (2023)
The drug delivery appraisal of Cu and Ni decorated B12N12 nanocage for an 8-hydroxyquinoline drug: A DFT and TD-DFT computational study Mahdi Rezaei Sameti (2022)
Interaction of 5-fluorouracil anticancer drug with nucleobases: insight from DFT, TD-DFT, and AIM calculations Mahdi Rezaei Sameti (2022)
The effects of Cu, Zn doped, and static electrical field on the interaction of mercaptopyridine drug with B 12 P 12 nanocage: Insight from DFT, TD-DFT Mahdi Rezaei Sameti (2021)
The Effects of the Ionic Field Strength of Be2+, Mg2+, and Ca2+ and a Static Electric Field (SEF) on the Interaction Between Prothionamide and B12P12 Nanocage: A DFT and TD-DFT Study Mahdi Rezaei Sameti (2021)
The interaction of 5-Flucytosine drug with pristine and (n=1, 2, 3) H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study Mahdi Rezaei Sameti (2021)
Interaction of hydrogen sulfide with the pristine and B&N-doped beryllium oxide nanotube: DFT study Mahdi Rezaei Sameti (2021)
Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric field Mahdi Rezaei Sameti (2021)
The H+ ions and static electric field effects on the adsorption and detection of cyanogen fluoride on the surface of boron nitride nanocage: a DFT, TD‑DFT study Mahdi Rezaei Sameti (2021)
The first-principle study of N2O gas interaction on the surface of pristine and Si-, Ga-, SiGa-doped of armchair boron phosphide nanotube: DFT method Mahdi Rezaei Sameti (2020)
The NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage Mahdi Rezaei Sameti (2020)
Adsorptive Removal of Nerve Agent Gases by Carbon Nanotubes: A Density Functional Theory Study Mahdi Rezaei Sameti (2020)
Effect of Ni and Pd Transition Metal Functionalized on Interaction of Mercaptopyridine with B12N12 Nanocage: NBO, AIM, DFT, TD-DFT Study Mahdi Rezaei Sameti (2020)
The capability of the pristine and (Sc, Ti) doped Be12O12 nanocluster to detect and adsorb of Mercaptopyridine molecule: A first principle study Mahdi Rezaei Sameti (2019)
The thermodynamic, quantum, AIM and NBO study of the interaction of pyrazinamide drug with the pristine and transition metal‑doped B12P12 Mahdi Rezaei Sameti (2019)
The AIM, NBO thermodynamic, and quantum study of the interaction nitramide molecule with pristine, B, As and B&As doped of AlNNTs Mahdi Rezaei Sameti (2019)
The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method Mahdi Rezaei Sameti (2019)
A DFT, NBO, RDG, MEP and thermodynamic sudy of acrolein interaction with pristine and Ga‒doped boron phosphide nanotube Mahdi Rezaei Sameti (2019)
A Quantum, NBO, RDG study of interaction cadmium ion with the pristine, C, P and C&P doped (4, 4) armchair boron nitride nanotube (BNNTs) Mahdi Rezaei Sameti (2018)
NBO, AIM, HOMO–LUMO and thermodynamic investigation of the nitrate ion adsorption on the surface of pristine, Al and Ga doped BNNTs: A DFT study Mahdi Rezaei Sameti (2018)
First-principle study of ammonia molecules adsorption on boron nitride nanotubes in presence and absence of static electric field and ion field Mahdi Rezaei Sameti (2018)
Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study Mahdi Rezaei Sameti (2018)
A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes Mahdi Rezaei Sameti (2018)
A Computational Study of the Interaction CN‒ with the Pristine, Ge-doped of AlPNTs1 Mahdi Rezaei Sameti (2017)
A computational study of adsorption H2S gas on the surface of the pristine, Al&P-doped armchair and zigzag BNNTs Mahdi Rezaei Sameti (2017)
A computational study of nitramide adsorption on the electrical properties of pristine and C-replaced boron nitride nanosheet Mahdi Rezaei Sameti (2017)
Excess thermodynamic parameters for binary and ternary mixtures of {1-butanol (1) + cyclohexylamine (2) + n-heptane (3)} at different temperatures: A theoretical study Mahdi Rezaei Sameti (2017)
Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study Mahdi Rezaei Sameti (2017)
Interaction of isoniazid drug with the pristine and Ni-doped of (4, 4) armchair GaNNTs: a first principle study Mahdi Rezaei Sameti (2017)
N2O interaction with the pristine and 1Ca- and 2Ca-doped beryllium oxide nanotube: a computational study Mahdi Rezaei Sameti (2016)
17O NMR parameters of some substituted benzyl ethers components: Ab initio study Mahdi Rezaei Sameti (2016)
The adsorption of CO molecule on pristine, As, B, BAs doped (4, 4) armchair AlNNTs: a computational study Mahdi Rezaei Sameti (2016)
A computational study of hydrogen cyanide interaction with the pristine and B, Ga, BGa-doped of (8, 0) zigzag AlPNTs Mahdi Rezaei Sameti (2016)
The DFT study of hydrogen bonding and thermodynamic parameters of (CH3OH)n(H2O)m (n, m = 1–8) clusters at different temperatures Mahdi Rezaei Sameti (2016)
The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach Mahdi Rezaei Sameti (2015)
The Interaction of HCN Gas on the Surface of Pristine, Ga, N and GaN-Doped (4,4) Armchair Models of BPNTs: A Computational Approach Mahdi Rezaei Sameti (2015)
The Interaction of Oxygen Gas with (6 0) Zigzag Models of Pristine and As-Doped BNNTs: A Computational Study Mahdi Rezaei Sameti (2015)
A computational study on the interaction between O2 and pristine and Ge-doped aluminum phosphide nanotubes Mahdi Rezaei Sameti (2015)
The Study of Morphology and Wear Behavior of Nano Composite CrWC Coating Produced via Electro Deposition Through Direct and Pulse Current1 Mahdi Rezaei Sameti (2014)
The theoretical study of effect of temperature on the physicochemical parameters for binary mixtures of vinyl acetate and benzyl acetate, +o-xylene, + m-xylene and +p-xylene Mahdi Rezaei Sameti (2014)
The computational study of adsorption of carbon monoxide on pristine and Ge-doped (6,0) zigzag models of BNNTs Mahdi Rezaei Sameti (2014)
The DFT Study of Oxygen Adsorption on Pristine and As-Doped of the (4, 4) Armchair Models BNNTs Mahdi Rezaei Sameti (2014)
Densities and refractive indices for binary and ternary mixtures of (carbon tetrachloride + b-pinene + 2-chlorobutane) at T 5 298.15 K Mahdi Rezaei Sameti (2013)
A NMR Study of Ge and As-Doped on (4, 4) Armchair and (8, 0) Zigzag Models of Boron Phosphide Nanotubes (BPNTs) Mahdi Rezaei Sameti (2013)
Gallium and Arsenic Doped on (4, 4) Armchair and (8, 0) Zigzag Models of Boron Phosphide Nanotubes: NMR Study Mahdi Rezaei Sameti (2013)
The effects of sodium dodecyl sulfate and sodium saccharin on morphology, hardness and wear behavior of Cr-WC nano composite coatings Mahdi Rezaei Sameti (2013)
The effects of SiC-doped on the NMR parameters of the armchair and zigzag models of aluminum phosphide nanotubes: A DFT study Mahdi Rezaei Sameti (2012)
Gallium doped in armchair and zigzag models of boron phosphide nanotubes (BPNTs): A NMR study Mahdi Rezaei Sameti (2012)
The effects of SiC-doped on the NMR parameters of the armchair and zigzag models of aluminum phosphide nanotubes: A DFT study Mahdi Rezaei Sameti (2012)
Conference Papers
The interaction of Cyclophosphamide anti-cancer drug with Graphene nanosheets: A first principle study Mahdi Rezaei Sameti, A B, A B (2024)
A theoretical study on the interaction of cyclophosphamide drug with adenine, guanine, cytosine, thymine, and uracil Mahdi Rezaei Sameti, A B, A B (2024)
The computational study of interaction of Hydroxycarbamide molecule with pristine, Ni-doped C20 nanocage: AIM, NBO, DFT and TD-DFT Mahdi Rezaei Sameti (2023)
Interaction of Carmustine anticancer drug with Adenine, Cytosine, and Guanine nucleobases: By density functional theory, localized lector orbitals and atom in molecule theory Mahdi Rezaei Sameti (2023)
The computational study of interaction and adsorption of Mercaptopurine drug with adenine nucleobase of DNA: By DFT, TD-DFTT AIM methods Mahdi Rezaei Sameti (2023)
The computational study of adsorption of cyanide ion on the surface of Pristine and Al doped boron phosphide nanotube: AIM, NBO, RDG, TD-DFT Mahdi Rezaei Sameti (2023)
The interaction of Phosgene gas with the pristine and B-doped Si12C12 nanocluster: A DFT, TD-DFT, RDG and AIM Mahdi Rezaei Sameti (2023)
The computational study of interaction of Hydroxycarbamide molecule with pristine, Ni-doped C20 nanocage: AIM, NBO, DFT and TD-DFT Mahdi Rezaei Sameti, A B, Mozhgan Maleki (2023)
Investigation of the interaction of boron nitride nanosheets (h-BN) with cyanogen fluoride (FCN) by density functional theory method Mahdi Rezaei Sameti (2023)
برهم کنش داروی 5 فلوسیستین با نانو خوشه بورنیترید : با روش A DFT, TD-DFT study Mahdi Rezaei Sameti (2022)
The DFT, AIM, NLO study of Sulfacetammide drug interaction with C24 nanocage Mahdi Rezaei Sameti (2022)
The interaction of Phosgene gas with the pristine and B & Al doped Si12C12: A DFT and TD-DFT method Mahdi Rezaei Sameti (2021)
Interaction of 5-Fluorouracil anti-cancer drug & B12P12 with adenine: DFT, AIM, ELF and NBO study Mahdi Rezaei Sameti (2019)

Research interests

  • nanotube, nano cluster, nano plat
  • The theoretical study of nano particles interaction
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Executive activities

  • Head of Applied chemistry (1385 - 1390)
  • Vice President of the University (1393 - 1395)
  • Vice-Presidency of Research and Technology (1387 - 1392)
  • Vice-Presidency of Education and Graduate Studies (1385 - 1387)
  • Vice-ِDean of Faculity science (1396 - 1401)
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Scientific Societies Membership

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