M. Bayat

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Theoretical studies on the proton affinities of four different series of nano-size diamines and designing strong superbases based on fullerene(C60) molecule

M. Bayat, S. Salehzadeh, 2010 .

Fe3O4@SiO2@Methotrexate as efficient and nanomagnetic catalyst for the synthesis of 9-(aryl)thiazolo [4,5-d] [1,2,4]triazolo [1,5-a]pyrimidin-2(3H)-ones via a cooperative anomeric based oxidation: A joint Experimental and computational mechanistic study

M. Zolfigol, M. Bayat, A. Khazaei, 2021, Journal of Molecular Structure.

New chlorine bridged binuclear silver(I) complexes of bidentate phosphorus ylides: Synthesis, spectroscopy, theoretical and anti-bacterial studies

H. Khavasi, R. Karamian, M. Bayat, 2015 .

Competition between the Hiyama and Suzuki–Miyaura Pd-catalyzed cross-coupling reaction mechanisms for the formation of some regioselective derivatives of quinoxaline and benzofuran; Which reaction mechanism is more favorable?

M. Bayat, Zeinab Ahmadvand, Mehdi Bayat, 2021 .

Theoretical studies on proton affinities of H2N–(CH2)n–NH2 (n = 2−10) diamines at gas phase. Good correlation with protonation constants in solution

M. Bayat, S. Salehzadeh, Fereshteh Yaghoobi, 2009 .

Metal–ligand bonds in [(X4R4)Fe(CO)3] (X = Si, Ge, Sn; R = SiH3, SiF3, F, Cl, Br, SiCl3, SiBr3, H, CH3, Si(CH3)3, Si(t-Bu)2Me) compounds

M. Bayat, Azadeh Moomivand, 2020 .

The significant role of the solvent in high selectivity of symmetrical calix[4]tubes for potassium ion in solution: A DFT study

M. Bayat, S. Salehzadeh, Yasin Gholiee, 2014 .

Complete gas-phase proton microaffinity analysis of five linear tetraamines containing two ethylenediamine residues

M. Bayat, S. Salehzadeh, Yasin Gholi ee, 2010 .

Structural, Theoretical, and Spectroscopic Study of Mercury(II) Complexes of two New Unsymmetric Phosphorus Ylides

H. Khavasi, M. Bayat, S. Salehzadeh, 2013 .

Towards Computational Prediction of Anti-Cancer Activity: Making Connection between IC50 Values and Metal−Ligand Interaction Energies in some NHC Complexes of Groups 10 and 11

M. Bayat, S. Salehzadeh, M. Ranjbaran, 2021 .

Theoretical studies on the interaction of some endohedral fullerenes {[X@C60]− (X = F−, Cl−, Br−) or [M@C60] (M = Li, Na, K)} with [Al(H2O)6]3+ and [Mg(H2O)6]2+ cations

M. Bayat, S. Salehzadeh, F. Yaghoobi, 2014 .

Synthesis, spectral, theoretical and antioxidant studies of copper (II) and cobalt (III) macroacyclic Schiff-base complexes containing homopiperazine moietiy

A. Shooshtari, R. Karamian, M. Bayat, 2020 .

A theoretical study on the interaction of [Al(H2O)6]3+ and [Mg(H2O)6]2+ cations with fullerene (C60), coronene and benzene π-systems

M. Bayat, S. Salehzadeh, Samaneh Hokmi, 2011 .

Unsymmetrical Diaryl Sulfones through Electrochemical Oxidation of Fast Violet B in the Presence of Aryl Sulfinic Acids

M. Bayat, D. Nematollahi, M. Jamshidi, 2016 .

Electrochemical oxidation of hematoxylin – Part 1: Experimental and theoretical studies in an aqueous acidic medium

M. Bayat, D. Nematollahi, Hadi Beiginejad, 2012 .

Some new morpholine-based Schiff-base complexes; Synthesis, characterization, anticancer activities and theoretical studies

Mahdi Saeidi-Rad, M. Bayat, R. Gable, 2020 .

Synthesis, Characterisation and Theoretical and Antibacterial Studies of Hg(II), Cd(II) and Ag(I) Complexes with a New Monodentate Phosphorus Ylide

R. Karamian, M. Bayat, S. J. Sabounchei, 2016 .

Synthesis and Characterisation of Hg(II) Complexes Including Bidentate Phosphorus Ylides

R. Karamian, M. Bayat, S. Salehzadeh, 2014 .

Synthesis and structure of [Hg2(L)2(NO3)2] (L = (4-nitrophenyl)pyridin-2-ylmethyleneamine); a theoretical study on Hg–Hg bond in this and in linear Hg2X2 (X = F, Cl, Br, I, Ph) complexes

M. Bayat, S. Salehzadeh, M. Bayat, 2014, Journal of the Iranian Chemical Society.

Extractive desulfurization of liquid fuel by using a green, neutral and task specific phosphonium ionic liquid with glyceryl moiety: A joint experimental and computational study

M. Zolfigol, Meysam Yarie, S. Azizian, 2017 .

New macrocyclic schiff base complexes incorporating a homopiperazine unit: Synthesis of some Co(II), Ni(II),Cu(II) and Zn(II) complexes and crystal structure and theoretical studies

M. Bayat, H. Ünver, M. Rezaeivala, 2016 .

Toward prediction of the precatalyst activation mechanism through the cross-coupling reactions: Reduction of Pd(II) to Pd(0) in precatalyst of the type Pd-PEPPSI

Zeinab Ahmadvand, Mehdi Bayat, Mohammad Ali Zolfigol, 2020, J. Comput. Chem..

Comparison of the selectivity of [M(12-Crown-4)]+ (M=Li+, Na+, K+) complexes for halide anions and some neutral molecules; a computational study

M. Bayat, S. Salehzadeh, Yazdan Maghsoud, 2015 .

Prediction of microscopic protonation constants of polybasic molecules via computational methods: A complete microequilibrium analysis of spermine

M. Bayat, S. Salehzadeh, Yasin Gholiee, 2011 .

Illustration of all species and all microspecies involved in full protonation steps of spermine and determination of corresponding most abundant and most stable conformers, a gas phase theoretical study

M. Bayat, S. Salehzadeh, F. Yaghoobi, 2009 .

Green fuel through green route by using a task-specific and neutral phosphonium ionic liquid: A joint experimental and theoretical study

M. Zolfigol, Meysam Yarie, S. Azizian, 2017 .

Theoretical studies on the structure and protonation of Cu(II) complexes of a series of tripodal aliphatic tetraamines: Good correlations with the experimental data

Mehdi Bayat, Sadegh Salehzadeh, M. Bayat, 2010, J. Comput. Chem..

Where, how and how much the strength of interaction between a hydrated lanthanide cation and a π-system would be increased? A theoretical study ☆

M. Bayat, S. Salehzadeh, Leila Ebrahimkhani, 2016 .

A theoretical study on the importance of steric effects, electronic properties, interaction and solvation energies in the ‘host–guest’ chemistry of protonated azacryptands and halide anions

M. Bayat, S. Salehzadeh, Yasin Gholiee, 2013 .

Theoretical studies on structure, formation and nature of bond in a Disila-, Digerma- and distannacyclobutene ring

M. Bayat, S. Salehzadeh, F. Amraie, 2016 .

Theoretical studies on the first proton macroaffinity of Ni(II), Cu(II), Zn(II) and Cd(II) complexes of four triazacycloalkanes ([X]ane N3, X = 9-12): good correlations with the formation constants in solution.

A. Shooshtari, M. Bayat, S. Salehzadeh, 2009, Dalton transactions.

Synthesis, structural characterization, DFT and molecular simulation study of new zinc-Schiff base complex and its application as a precursor for preparation of ZnO nanoparticle

M. Bayat, M. Kubicki, M. Salehi, 2020 .

C, C coordination mode in comparison with C, P coordination mode in six and seven pallada- and platinacycle complexes of phosphorous ylide; synthesis, X-ray and theoretical studies

M. Bayat, R. Gable, S. J. Sabounchei, 2020 .

Synthesis, X-ray structural and DFT studies of n-membered ring P, C-chelated complexes of Pd(II) and Pt(II) derived from unsymmetrical phosphorus ylides and application of Pd(II) complexes as catalyst in Suzuki reaction

M. Bayat, R. Gable, S. J. Sabounchei, 2017 .

New mononuclear mercury(II) complexes of a bifunctionalized ylide containing five-membered chelate ring: Spectral and structural characterization

M. Bayat, S. Salehzadeh, E. Irran, 2010 .

Synthesis, characterization, and structural studies of mercury(II) complexes of new bidentate phosphorus ylide

M. Bayat, S. Salehzadeh, S. J. Sabounchei, 2010 .

Efficient Factors on the Hydrolysis Reaction Rate of Some Para-Aminophenol Derivatives in Acidic pHs

M. Bayat, D. Nematollahi, Hadi Beiginejad, 2013 .

A theoretical quest to identify the precedence between NHC side group (R′) and bridge group (R) in the formation of [NHC(R′)(M(di-μ-R)YR)] (M = Li, Na, K; Y = Zn, Cd; R = H, CH3, t-Butyl, Si(CH3)3, C6H5; R′ = H, CH3, Dipp) complexes

M. Bayat, B. Golzadeh, Mehdi Bayat, 2019, Journal of the Iranian Chemical Society.

New stable phosphorus ylide (p-tolyl)3P = CHCOC6H4 (p-CN) and its metal complexes: Crystal and molecular structure, theoretical study and antibacterial investigation

M. Bayat, K. Van Hecke, S. J. Sabounchei, 2020 .

Structural, Theoretical and Multinuclear NMR Study of a New Polymeric Mercury(II) Complex with an Ambidentate Phosphorus Ylide

H. Khavasi, M. Bayat, S. Salehzadeh, 2013, Journal of Inorganic and Organometallic Polymers and Materials.

Synthesis of New Phosphonium Ylides Containing Thiophene and Furan Rings and Study of Their Reaction with Mercury(II) Halides: Spectral and Structural Characterization

H. Khavasi, M. Bayat, S. Salehzadeh, 2010 .

Structural, theoretical and multinuclear NMR study of mercury(II) complexes of phosphorus ylides : Mono and binuclear complexes

H. Khavasi, M. Bayat, S. Salehzadeh, 2008 .

New mono and binuclear mercury(II) complexes of phosphorus ylides containing DMSO as ligand: Spectral and structural characterization

H. Adams, H. Khavasi, M. Bayat, 2008 .

Synthesis and characterization of binuclear mercury(II) complexes of phosphorus ylides, X-ray analysis and multinuclear NMR measurements

M. Ward, H. Adams, M. Bayat, 2009 .

Computational evidence of preferred energy and preferred binding energy in the formation of “1 + 1” versus “2 + 2” macrocyclic Schiff base complexes

M. Bayat, S. Salehzadeh, Mehdi Bayat, 2011 .

Complete gas-phase proton microaffinity analysis of two bulky polyamine molecules.

M. Bayat, S. Salehzadeh, M. Hashemi, 2007, The journal of physical chemistry. A.

Three new defined proton affinities for polybasic molecules in the gas-phase: Proton microaffinity, proton macroaffinity and proton overallaffinity

M. Bayat, S. Salehzadeh, Mehdi Bayat, 2006 .

Synthesis, characterization, antibacterial activities and theoretical studies of Mn(II) and Cd(II) complexes with new macrocyclic Schiff base ligands incorporating a phenanthroline head unit

M. Bayat, M. Liyaghati-Delshad, M. Rezaeivala, 2015, Journal of the Iranian Chemical Society.

A theoretical study on the formation of “1 + 1” versus “2 + 2” macrocyclic Schiff base complexes in the absence of coordinated anions

M. Bayat, S. Salehzadeh, Mehdi Bayat, 2011 .

Energy decomposition analysis of the metal–oxime bond in [M{RC(NOH)C(NO)R}2] (M = Ni(II), Pd(II), Pt(II), R = CH3, H, F, Cl, Br, Ph, CF3)

G. Frenking, M. Bayat, S. Salehzadeh, 2011 .

New complexes of Ni(II) and Cu(II) with tridentate ONO Schiff base ligand: synthesis, crystal structures, electrochemical and theoretical investigation

F. Faghani, M. Bayat, M. Kubicki, 2018, Journal of the Iranian Chemical Society.

Ab initio and DFT studies on the structures, binding energies and nature of bonds in X2Y3 metal clusters (X+ = Li+, Na+ and K+; ${\rm Y}_{3}^{2-} = {\rm Zn}_{3}^{2-}, {\rm Cd}_{3}^{2-}$ and ${\rm Hg}_{3}^{2-}$)

M. Bayat, S. Salehzadeh, H. Keypour, 2015 .

Coordination chemistry of some new Mn(II), Cd(II) and Zn(II) macrocyclic Schiff base complexes containing a homopiperazine head unit. Spectral, X-ray crystal structural, theoretical studies and anticancer activity

A. Shooshtari, H. A. Rudbari, M. Bayat, 2019, Inorganica Chimica Acta.

Energy decomposition analysis of the metal-imine bond in [(CO)4M–SB] (M = Cr, Mo, W; SB: RHCN–CH2CH2–NCHR)

G. Frenking, M. Bayat, S. Salehzadeh, 2012 .

The significant effect of electron donating and electron withdrawing substituents on nature and strength of an intermolecular Se⋯π interaction. A theoretical study

M. Bayat, S. Salehzadeh, Yazdan Maghsoud, 2016 .

Stabilization of group 14 tetrylene compounds by N-heterocyclic carbene: A theoretical study

M. Bayat, E. Soltani, 2017 .

Regioselective Green Electrochemical Approach to the Synthesis of Nitroacetaminophen Derivatives.

M. Bayat, D. Nematollahi, A. Mahyari, 2015, Organic letters.

Nature of Metal–Drug Bond in Some Antitumor Active Complexes of Coinage Metal Ions

M. Bayat, Mehdi Bayat, B. Naderizadeh, 2020, ACS omega.

New highly soluble [6,6]-methanofullerene derivatives incorporating both α-keto and α, β-ester stabilized phosphorus ylides; synthesis, characterization, theoretical and biological studies

R. Karamian, M. Bayat, A. Hashemi, 2018, Journal of Molecular Structure.

Experimental and Theoretical Analysis of the Electrochemical Oxidation of Catechol and Hydroquinone Derivatives in the Presence of Various Nucleophiles

M. Bayat, D. Nematollahi, Hadi Beiginejad, 2013 .

Efficient Factors on the Reaction Rate and Site-Selectivity in Sulfonylation of Catechol and Hydroquinone Derivatives: Experimental and Theoretical Studies

M. Bayat, D. Nematollahi, Hadi Beiginejad, 2013 .

A task-specific phosphonium ionic liquid as an efficient extractant for green desulfurization of liquid fuel: An experimental and computational study

M. Zolfigol, Meysam Yarie, S. Azizian, 2016 .

Nature of metal–NHC bonds in some potential anticancer [(NHC(R))2→M]+ (M = CuI, AgI, AuI, R =n-propyl, n-butyl, n-pentyl, n-hexyl, n-heptyl, n-octyl, n-nonyl, n-decyl) complexes

M. Bayat, Mehdi Bayat, B. Naderizadeh, 2021 .

Synthesis, characterization, theoretical and cytotoxicity studies of Pd(II) and Pt(II) complexes with new bidentate carbon donor ligand

M. Bayat, R. Gable, L. Hosseinzadeh, 2019, Polyhedron.