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نمایش تعداد 1-10 از 24

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    Reliability-Based Simulation-Optimization Model for Multireservoir Hydropower Systems Operations: Khersan Experience 

    نوع: Journal Paper
    نویسنده : Raheleh Afzali; Seyed Jamshid Mousavi; Abbas Ghaheri
    سال: 2008
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    The first C(O)NHP(O)-based phosphoric triamide structure with an N—H···π hydrogen bonding: a combination of X-ray crystallography and theoretical study to evaluate the strength of hydrogen bonds 

    نوع: Journal Paper
    نویسنده : Maryam Taherzadeh; Mahrdad Pourayoubi; Raheleh Afzali; Marek Nečas
    سال: 2017
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    The first C(O)NHP(O)-based phosphoric triamide structure with an N‒H···π hydrogen bonding: A combination of X-ray crystallography and theoretical study to evaluate the strength of hydrogen bonds 

    نوع: Journal Paper
    نویسنده : Maryam Taherzadeh; Mehrdad Pourayoubi; Raheleh Afzali; Marek Nečas
    سال: 2017
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    The first C(O)NHP(O)-based phosphoric triamide structure with an N—H···π hydrogen bonding: a combination of X-ray crystallography and theoretical study to evaluate the strength of hydrogen bonds 

    نوع: Journal Paper
    نویسنده : Maryam Taherzadeh; Mahrdad Pourayoubi; Raheleh Afzali; Marek Nečas
    سال: 2017
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    Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones 

    نوع: Conference Paper
    نویسنده : محمد وکیلی; راهله افضلی; Mohamad Vakili; Raheleh Afzali
    سال: 2016
    خلاصه:

    The formation of the hydrogen bond stabilizes the chelated enol forms of β-diketones. Several experimental and theoretical data imply that some substituents in α- or β-positions significantly change the strength of ...

    Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione 

    نوع: Journal Paper
    نویسنده : راهله افضلی; محمد وکیلی; A.-R. Nekoei; سیدفرامرز طیاری; Raheleh Afzali; Mohamad Vakili; Sayyed Faramarz Tayyari
    سال: 2014
    خلاصه:

    Intramolecular hydrogen bonding (IHB) and vibrational frequencies of 1,1,1-trifluoro-5,5-dimethyl-2,

    4-hexanedione (TFDMHD) have been investigated by means of density functional theory (DFT) calculations, Atoms in ...

    Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II) 

    نوع: Journal Paper
    نویسنده : محمد وکیلی; سیدفرامرز طیاری; راهله افضلی; Mohamad Vakili; Sayyed Faramarz Tayyari; Raheleh Afzali
    سال: 2015
    خلاصه:

    Conformational analysis, molecular structure, relative stability, and complete vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II), Cu(tmhd)2, were investigated by density functional theory ...

    Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study) 

    نوع: Journal Paper
    نویسنده : وحیدرضا داروگر; محمد وکیلی; حسین عشقی; راهله افضلی; Vahidreza Darugar; Mohamad Vakili; Hossein Eshghi; Raheleh Afzali
    سال: 2017
    خلاصه:

    Conformational stability, equilibrium constant between two stable cis-enol forms, and

    intramolecular hydrogen bonding (IHB) of benzoylacetone (BA) and p-substituted benzoylacetone

    (X-BA), where X=NO2, OCH3, ...

    Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach 

    نوع: Journal Paper
    نویسنده : محمد وکیلی; سیدفرامرز طیاری; Raheleh Afzali; Mohamad Vakili; Sayyed Faramarz Tayyari
    سال: 2018
    خلاصه:

    This paper presents a combined experimental and theoretical study on the CueO bond strength of

    copper (II) a-methylacetylacetonate, Cu(3-Meacac)2, and copper (II) a-ethylacetylacetonate, Cu(3-

    Etacac)2, ...

    Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions 

    نوع: Conference Paper
    نویسنده : محمد وکیلی; محترم بیات مختاری; راهله افضلی; Mohamad Vakili; mohtaram bayat mokhtary; Raheleh Afzali
    سال: 2012
    خلاصه:

    ,-unsaturated--ketoamines are capable of forming an N-H…O asymmetric intramolecular hydrogen bond. The 4-amino-3-penten-2-one has an N-H…O intramolecular hydrogen bond. Furthermore this compound is capable of forming ...

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