Showing 1 - 4 results of 4 for search 'Asmaa B. El-Meligy', query time: 0.03s Refine Results
  1. 1
    DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges

    DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges by Shimaa Abdel Halim, Asmaa B. El-Meligy, Ahmed M. El-Nahas, Safinaz H. El-Demerdash

    Published 2024-01-01
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  2. 2
    A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers

    A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers by Safinaz H. El-Demerdash, Shimaa Abdel Halim, Ahmed M. El-Nahas, Asmaa B. El-Meligy

    Published 2023-09-01
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  3. 3
    Structures, Energetics, and Spectra of (NH) and (OH) Tautomers of 2‑(2-Hydroxyphenyl)-1-azaazulene: A Density Functional Theory/Time-Dependent Density Functional Theory Study

    Structures, Energetics, and Spectra of (NH) and (OH) Tautomers of 2‑(2-Hydroxyphenyl)-1-azaazulene: A Density Functional Theory/Time-Dependent Density Functional Theory Study by Asmaa B. El-Meligy, Safinaz H. El-Demerdash, Mohamed A. Abdel-Rahman, Mohamed A. M. Mahmoud, Tetsuya Taketsugu, Ahmed M. El-Nahas

    Published 2022-04-01
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  4. 4
    Ab initio calculations on structure and stability of BN/CC isosterism in azulene

    Ab initio calculations on structure and stability of BN/CC isosterism in azulene by Mohamed A. Abdel-Rahman, Kamal A. Soliman, Safwat Abdel-Azeim, Ahmed M. El-Nahas, Tetsuya Taketsugu, Takahito Nakajima, Asmaa B. El-Meligy

    Published 2023-06-01
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