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نمایش تعداد 1-10 از 14

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    Experimental Kinetics of 2-Pyridylacetic acid Pyrolysis 

    نوع: Conference Paper
    نویسنده : محمد ایزدیار; Mohammad Izadyar
    سال: 2011
    خلاصه:

    Kinetic and mechanism of 2-PAA was studied in the gas phase experimentally. Kinetic data show that the reaction obeys the first order rate law and proceeds through a concerted mechanism. CO elimination from the reactant occurred via the homogeneous...

    Quantum Study of the Gas Phase Unimolecular Elimination Kinetics of 5-Substituted Groups of Allyl Sulfides 

    نوع: Conference Paper
    نویسنده : محمد ایزدیار; Mohammad Izadyar
    سال: 2012
    خلاصه:

    The potential energy surface of the reaction C3H5SCH2X/C3H6CXCHZS was studied for the various X substitutions (XZCH3, H, Cl, F) at

    the high level of the theory (G3MP2 method) using the 6-31G(d) basis set. It was ...

    Kinetics and mechanism of propene elimination from allyl methyl amine pyrolysis in the gas phase 

    نوع: Conference Paper
    نویسنده : محمد ایزدیار; E. Esmaili; Mohammad Izadyar
    سال: 2010
    خلاصه:

    A comprehensive computational study on the retro-ene reaction of allyl methyl amine

    (AMN) was carried out in the gas phase. Theoretical studies were performed using the

    density functional theory method at the ...

    A Computational Study on the Kinetics of 2-Pyridyl acetic Acid Pyrolysis in the Gas Phase 

    نوع: Conference Paper
    نویسنده : محمد ایزدیار; N. zamani; Mohammad Izadyar
    سال: 2008
    خلاصه:

    that the pyrolysis process is homogeneous, unimolecular and proceeds through a concerted mechanism. Theoretical studies at the B3LYP level using the 6-31G* basis set confirmed an asynchronous concerted mechanism for the reaction. Computed kinetic and activation...

    A Computational Study on the Kinetic and Mechanism of Allyl benzyl sulphide Pyrolysis in the Gas Phase 

    نوع: Conference Paper
    نویسنده : محمد ایزدیار; N. Zamani; Mohammad Izadyar
    سال: 2008
    خلاصه:

    state and the other one is a multi steps process (Free radical mechanism). Theoretical results show that propene and thiobezaldehyde formation are accordance to a concerted mechanism. The reaction progress was followed by means of natural bond analysis...

    A computational study of the kinetics and mechanism of the gas phase pyrolysis of allyl methyl amine 

    نوع: Journal Paper
    نویسنده : محمد ایزدیار; E. Esmaili; M. Harati; Mohammad Izadyar
    سال: 2011
    خلاصه:

    A density functional theoretical (DFT) study has been carried out at the

    B3LYP=6 – 31G(d) level on the gas-phase retro-ene reaction of allyl methyl

    amine (AMN). The results were compared with single point ...

    Substituent effects on the gas phase reactivity of alkyl allyl sulfides, a theoretical study 

    نوع: Journal Paper
    نویسنده : محمد ایزدیار; M.R. Gholami; Mohammad Izadyar
    سال: 2005
    خلاصه:

    The potential energy surface of the reaction C3H5SCH2X/C3H6CXCHZS was studied for the various X substitutions (XZCH3, H, Cl, F) at the high level of the theory (G3MP2 method) using the 6-31G(d) basis set. It was demonstrated ...

    A joint experimental and computational study on the kinetic and mechanism of diallyl disulfide pyrolysis in the gas phase 

    نوع: Journal Paper
    نویسنده : M.R. Gholami; محمد ایزدیار; Mohammad Izadyar
    سال: 2004
    خلاصه:

    A combined theoretical and experimental kinetic and mechanism of diallyl disulfide pyrolysis reaction in the gas phase was studied in a static system over the temperature range of 586.7–621.2 K and a total pressure of 72 ...

    Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study 

    نوع: Journal Paper
    نویسنده : محمد ایزدیار; N. Zamani; M. R. Gholami; Mohammad Izadyar
    سال: 2006
    خلاصه:

    static system over the

    pressure range of 18–55 torr and the temperature of 541.2–583.4 K. The experimental kinetic data show that the pyrolysis process is

    homogeneous, unimolecular and proceeds through a concerted mechanism. Theoretical...

    DFT Calculations on retro-ene reactions Part I: allyl n-butyl sulfide pyrolysis in the gas phase 

    نوع: Journal Paper
    نویسنده : محمد ایزدیار; A. H. jahangir; M. R. Gholami; Mohammad Izadyar
    سال: 2004
    خلاصه:

    proceeds through a six-centered cyclic transition state. Theoretical calculations show that propene elimination from the reactant can occur through an asynchronous concerted mechanism. A primary kinetic isotope effect of 2.21 for the reaction can...

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