معرفی
عضو هیات علمی دانشگاه آزاد اسلامی واحد شاهرود و علاقه مند به حوزه شیمی فیزیک
استان
سمنان
شهر
شاهرود
مقالات بین المللی احسان زاهدی
"Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction", Elsevier BV, (2023), Vol 121, No : 108426
"Theoretical investigation on the mechanism and kinetics of the OH•‒initiated atmospheric degradation of p-chloroaniline via OH•‒addition and hydrogen abstraction pathways", Elsevier BV, (2022), Vol 114, No : 108198
"Kinetics and molecular mechanism of the Schonberg rearrangement", Elsevier BV, (2022), Vol 1208, No : 113585
"Kinetics and molecular mechanism of the Schonberg rearrangement", Elsevier BV, (2022), Vol 1208, No : 113585
"A comprehensive theoretical analysis of Curtius rearrangement of syn-syn and syn-anti conformers of oxalyl diazide", Elsevier BV, (2021), Vol 109, No : 108012
"Quasi-RRHO approximation and DFT study for understanding the mechanism and kinetics of nitration reaction of benzonitrile with nitronium ion", Elsevier BV, (2021), Vol 1199, No : 113209
"Insights into the kinetics and molecular mechanism of the Newman–Kwart rearrangement", Royal Society of Chemistry (RSC), (2021), Vol 45, No 36: 16978-16988
"Closer Investigation of the Kinetics and Mechanism of Spirovinylcyclopropyl Oxindole Reaction with 3Σ–g-O2 by Topological Approaches and Unraveling the Role of the I2 Catalyst", American Chemical Society (ACS), (2021), Vol 125, No 32: 6913-6926
"Zinc Oxide/Graphene Oxide as a Robust Active Catalyst for Direct Oxidative Synthesis of Nitriles from Alcohols in Water", Springer Science and Business Media LLC, (2021), Vol 152, No 6: 1895-1903
"Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene", Royal Society of Chemistry (RSC), (2020), Vol 44, No 16: 6543-6552
"Unraveling the kinetics and molecular mechanism of gas phase pyrolysis of cubane to [8]annulene", Royal Society of Chemistry (RSC), (2020), Vol 10, No 54: 32730-32739
"Tuning the morphological structure, light absorption, and photocatalytic activity of Bi2WO6 and Bi2WO6-BiOCl through cerium doping", Elsevier BV, (2020), Vol 13, No 1: 2844-2857
"Understanding the kinetics and molecular mechanism of unimolecular gas phase thermal decomposition of the α-ketoester methyl benzoylformate using RRKM and BET theories", Elsevier BV, (2019), Vol 87, No : 22-29
"Kinetic and mechanistic insight into the OH –initiated atmospheric oxidation of 2,3,7,8-tetrachlorodibenzo-p-dioxin via OH –addition and hydrogen abstraction pathways: A theoretical investigation", Elsevier BV, (2019), Vol 679, No : 106-114
"Molecular Dynamics Simulation of Wetting and Interfacial Properties of Multicationic Ionic Liquid Nanodroplets on Boron Nitride Monolayers: A Comparative Approach", American Chemical Society (ACS), (2019), Vol 123, No 22: 13551-13560
"Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications", Royal Society of Chemistry (RSC), (2019), Vol 21, No 16: 8445-8456
"Understanding the kinetics and molecular mechanism of the Curtius rearrangement of 3-oxocyclobutane-1-carbonyl azide", Elsevier BV, (2018), Vol 1130, No : 121-129
"Kinetic and mechanistic insight into the formation of amphetamine using the Leuckart–Wallach reaction and interaction of the drug with GpC·CpG base-pair step of DNA: a DFT study", Springer Science and Business Media LLC, (2018), Vol 149, No 6: 1045-1057
"Understanding the molecular mechanism of thio-Claisen rearrangement of allyl phenyl sulfide and allyl vinyl sulfide using bonding evolution theory coupled with NCI analysis", Informa UK Limited, (2018), Vol 39, No 4: 350-366
"Theoretical study on the elimination kinetics in the gas phase of allyl methyl compounds", Springer Science and Business Media LLC, (2018), Vol 149, No 8: 1389-1400
"Reaction mechanisms and kinetics of the β-elimination processes of compounds CHF2CH2SiF Me3– (n = 0–3): DFT and CBS-QB3 methods using Rice-Ramsperger-Kassel-Marcus and transition state theories", Elsevier BV, (2018), Vol 216, No : 71-80
"Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories", Elsevier BV, (2017), Vol 485-486, No : 140-148
"First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa", Springer Science and Business Media LLC, (2017), Vol 90, No 3:
"Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI Analysis", American Chemical Society (ACS), (2017), Vol 121, No 44: 8504-8517
"Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories", Elsevier BV, (2017), Vol 483-484, No : 12-25
"A first–principles study on polar hexagonal Cs 2 Te M 3 O 12 ( M = W, Mo): New visible–light responsive photocatalyst", Elsevier BV, (2017), Vol 252, No : 129-137
"Theoretical study on the mechanisms and kinetics of the β-elimination of 2,2-dihaloethyltrihalosilanes (X = F, Cl, Br) compounds: a DFT study along with a natural bond orbital analysis", Springer Science and Business Media LLC, (2017), Vol 124, No 1: 27-44
"Understanding the kinetics of thermal decomposition of 2,3-epoxy-2,3-dimethylbutane using RRKM theory", Royal Society of Chemistry (RSC), (2016), Vol 6, No 94: 91882-91892
"Two-step synthesis and visible-light-driven photocatalytic water oxidation activity of AW(O,N)3 (A= Sr, La, Pr, Nd and Eu) perovskites", Elsevier BV, (2016), Vol 344, No : 29-37
"The cross-substitution effect of tantalum on the visible-light-driven water oxidation activity of BaNbO2N crystals grown directly by an NH3-assisted flux method", Royal Society of Chemistry (RSC), (2016), Vol 4, No 33: 12807-12817
"New Dion–Jacobson Phase Three-Layer Perovskite CsBa2Ta3O10 and Its Conversion to Nitrided Ba2Ta3O10 Nanosheets via a Nitridation–Protonation–Intercalation–Exfoliation Route for Water Splitting", American Chemical Society (ACS), (2016), Vol 16, No 4: 2302-2308
"First-Principles Investigations of the Structure, Electronic, and Optical Properties of Mullite-Type Orthorhombic Bi2M4O9 (M = Al3+, Ga3+)", American Chemical Society (ACS), (2016), Vol 55, No 10: 4824-4835
"Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb): a DFT study using HSE06", Royal Society of Chemistry (RSC), (2016), Vol 6, No 66: 61150-61161
"Adsorption properties of boroxol ring doped zigzag boron nitride nanotube toward NO molecule using DFT", World Scientific Pub Co Pte Lt, (2016), Vol 30, No 17: 1650101
"Adsorption of carbon monoxide on boroxol-ring-doped zigzag boron nitride nanotube: Electronic study via DFT", Springer Science and Business Media LLC, (2016), Vol 131, No 4:
"Understanding the kinetics and mechanism of thermal cheletropic elimination of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide using RRKM and ELF theories", Springer Science and Business Media LLC, (2016), Vol 43, No 3: 1575-1590
"Regioselectivity of 1,3-dipolar cycloadditions between aryl azides and an electron-deficient alkyne through DFT reactivity descriptors", Springer Science and Business Media LLC, (2016), Vol 43, No 2: 767-782
"Transport properties of a single-molecular diode with one backbone, and two backbones in parallel: Frontier orbital analysis and NEGF-DFT study", Springer Science and Business Media LLC, (2015), Vol 130, No 5:
"Theoretical study of the pressure dependent rate constants of the thermal decomposition of β-propiolactone", Elsevier BV, (2015), Vol 8, No 5: 644-647
"Hydrostatic pressure effects on the electronic, optical, and photocatalytic properties of ribbon-like Bi2S3: A DFT study", Elsevier BV, (2015), Vol 81, No : 49-63
"Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb): a DFT study", Royal Society of Chemistry (RSC), (2015), Vol 5, No 108: 88725-88735
"Diels–Alder Reactions of α-Cyano α,β-Unsaturated Ketones with 2-Methyl-1,3-Butadiene: DFT Study of Mechanism, Reactivity and Regioselectivity", SAGE Publications, (2015), Vol 40, No 2: 177-189
"DFT study of structural, elastic properties and thermodynamic parameters of Bi2S3 under hydrostatic pressures", Elsevier BV, (2015), Vol 101, No : 301-312
"DFT STUDY OF CO AND NO ADSORPTION ON BORON NITRIDE (BN)n = 3 - 5 NANOCLUSTERS", World Scientific Pub Co Pte Lt, (2015), Vol 22, No 01: 1550005
"Molecular Dynamics Simulation of Boron Nitride Nanotube as a Drug Carrier", Springer Science and Business Media LLC, (2014), Vol 39, No 9: 6737-6742
"Mechanism and regioselectivity of the reversible Diels–Alder cycloaddition of 2-methyl-1,3 butadiene with C 48 B 6 N 6 heterofullerene: A DFT approach", Elsevier BV, (2014), Vol 53, No : 212-220
"Mechanism and regioselectivity of 1,3-dipolar cycloaddition reactions of sulphur-centred dipoles with furan-2,3-dione: A theoretical study using DFT", Springer Science and Business Media LLC, (2014), Vol 126, No 1: 293-302
"DFT STUDY OF HYDROGEN STORAGE ON Li- AND Na-DOPED C59B HETEROFULLERENE", World Scientific Pub Co Pte Lt, (2014), Vol 21, No 04: 1450047
"Current–voltage characteristics through dithienylcyclopentene: A NEGF-DFT study", Elsevier BV, (2014), Vol 61, No : 1-8
"Comparative Investigation of the Stabilities of Indene and Isoindene and the Their Heteroanalogs (N,O,S) Using Computational Methods", Informa UK Limited, (2014), Vol 189, No 9: 1367-1377
"The Allylic Rearrangements (Claisen and Thio-Claisen) and Decomposition Reactions of Allyl Formate and its Sulfur Analogue: Density Function Theory Study and Nucleus-Independent Chemical Shifts", SAGE Publications, (2013), Vol 38, No 2: 171-182
"Adsorption of nitrogen dioxide on C30B15N15 heterofullerene: AIM and NBO study via DFT", Elsevier BV, (2013), Vol 16, No 2: 189-194
"The unimolecular thermal decomposition of oxetane and its methyl derivatives: An Ab initio and RRKM calculations", Pleiades Publishing Ltd, (2012), Vol 86, No 8: 1245-1249
"Mechanism and Regioselectivity of the 1,3-Dipolar Cycloaddition of Methyleneamine N-Oxide with Cyclopent-3-Ene-1,2-Dione and its Aza, Oxa and Thia Analogues: A Dft Approach", SAGE Publications, (2012), Vol 37, No 1: 90-102
"Exohedral chemical functionalization of C48B6N6 with NH3: Binding energies and electronic structures of C48B6N6–(NH3)n=1−6", Elsevier BV, (2012), Vol 51, No 2: 290-299
"Effect of tube radius on the exohedral chemical functionalization of boron-nitride zigzag nanotubes with NH3", Elsevier BV, (2012), Vol 407, No 18: 3841-3848
"DFT-NEGF study of transport properties and NDR behavior in fused furan and thiophene dimmers", Elsevier BV, (2012), Vol 407, No 23: 4503-4511
"DFT Calculations of the Elimination Kinetics of Silacyclobutanes and its Methyl Derivatives in the Gas-Phase", Informa UK Limited, (2012), Vol 187, No 5: 619-631
"Ab Initio Study and Nbo Analysis of the Unimolecular Decomposition Kinetics of 2,2-Dimethyloxetane", SAGE Publications, (2012), Vol 37, No 3: 277-290
"Theoretical study of proton transfer in ammonia–hydrogen halides in the presence of methanol", Springer Science and Business Media LLC, (2012), Vol 39, No 7: 3303-3317
"Influence of NO2 attachment on the nuclear magnetic shielding tensors of N and B nuclei in C30B15N15 heterofullerene: a DFT study", Springer Science and Business Media LLC, (2012), Vol 39, No 8: 3843-3857
"The influence of NH3 -attaching on the NMR parameters in the zigzag BN nanotube", Elsevier BV, (2011), Vol 49, No 2: 169-175
"The comparative study in transport properties of furan, thiophene and selenophene dithiols in nano electronic", Elsevier BV, (2011), Vol 50, No 4: 386-399
"Structural and Electronic Properties of Ammonia Adsorption on the C<SUB>30</SUB>B<SUB>15</SUB>N<SUB>15</SUB> Heterofullerene: A Density Functional Theory Study", American Scientific Publishers, (2011), Vol 8, No 10: 2159-2165
"Size-dependent electronic structures of boron carbonitride (BC2N) nanotubes. A DFT approach", Elsevier BV, (2011), Vol 50, No 5: 491-500
"Kinetic Study and NBO Analysis of the Dehydrogenation Mechanism of Five-membered Ring Heterocyclic 2,5-Dihydro-[furan, thiophene, selenophene", Wiley, (2011), Vol 29, No 11: 2249-2256
"Effect of tube radius on the electronic and magnetic properties of finite boron nitride zigzag nanotubes using DFT", Elsevier BV, (2011), Vol 44, No 1: 179-185
"Ammonia adsorption on the C30B15N15 heterofullerene: DFT study of nuclear magnetic shielding and electric field gradient tensors of N and B nuclei", Elsevier BV, (2011), Vol 406, No 8: 1592-1597
"Adsorption of NH3 and NO2 molecules on C48B6N6 heterofullerene: A DFT study on electronic properties", Elsevier BV, (2011), Vol 406, No 19: 3704-3709
"A DFT study of carbon nanobuds", Springer Science and Business Media LLC, (2011), Vol 82, No 2: 147-152
"A DFT studies of structural and quadrupole coupling constants properties in C-doped BeO nanotubes", Elsevier BV, (2011), Vol 50, No 5: 539-548
"A computational investigation of carbon-doped beryllium monoxide nanotubes", Walter de Gruyter GmbH, (2011), Vol 10, No 1: 96-104
"Kinetic and thermodynamic study of the substituent effect on the amino-Claisen rearrangement ofpara-substitutedN-allyl-N-arylamine: a Hammett study via DFT", Informa UK Limited, (2010), Vol 36, No 12: 978-985
"Control aromaticity in the thermal decomposition of 2,5-dihydrofuran, 2,5-dihydrothiophene and 3-pyrroline: a kinetic and thermodynamic study via DFT", Springer Science and Business Media LLC, (2010), Vol 102, No 1: 21-35
"A DFT Study of NBO and NICS Analysis of the Allylic Rearrangements (the Claisen and Thio-Claisen Rearrangements) of 3-(Vinyloxy)prop-1-ene and Allyl Vinyl Sulfide", Informa UK Limited, (2010), Vol 186, No 1: 159-170
"Solvent effects on stability and 15N NMR shielding of 5-methylcytosine tautomers: A theoretical approach", Elsevier BV, (2009), Vol 899, No 1-3: 94-97
"A density functional study of NBO, NICS and 14N NQR parameters of 5-methylcytosine tautomers in the gas phase", Elsevier BV, (2009), Vol 905, No 1-3: 101-105
سوابق استادی احسان زاهدی
استاد تمام دانشگاه آزاد اسلامی واحد شاهرود
1382
تحصیلات احسان زاهدی
سوابق شغلی احسان زاهدی
سابقه کار دانشگاهی عضو هیئت علمی
1382 - تاکنون
سابقه کار دانشگاهی معاون آموزشی و تحصیلات تکمیلی
1397 - 1398
جوایز و افتخارات احسان زاهدی
برگزیده جشنواره فرهیختگان
1401
پژوهشگر برتر
1400
پژوهشگر برتر
1399
پژوهشگر برتر
1392
پژوهشگر برتر
1391
پژوهشگر برتر
1390