Theoretical investigation of the photochemical reaction mechanism of cyclopropenone decarbonylation
Elroby, Shabaan A.K., Osman, Osman Ibrahim, Aziz, Saadullah G.
Published in Molecular physics (20.07.2011)
Published in Molecular physics (20.07.2011)
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Journal Article
Toward the understanding of the metabolism of levodopa I. DFT investigation of the equilibrium geometries, acid-base properties and levodopa-water complexes
Elroby, Shabaan A K, Makki, Mohamed S I, Sobahi, Tariq R, Hilal, Rifaat H
Published in International journal of molecular sciences (01.04.2012)
Published in International journal of molecular sciences (01.04.2012)
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Journal Article
Eclipsed acetaldehyde as a precursor for producing vinyl alcohol
Osman, Osman I, Alyoubi, Abdulrahman O, Elroby, Shabaan A K, Hilal, Rifaat H, Aziz, Saadullah G
Published in International journal of molecular sciences (20.11.2012)
Published in International journal of molecular sciences (20.11.2012)
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Journal Article
Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties
Aziz, Saadullah G., Elroby, Shabaan A., Alyoubi, Abdulrahman, Osman, Osman I., Hilal, Rifaat
Published in Journal of molecular modeling (01.03.2014)
Published in Journal of molecular modeling (01.03.2014)
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Journal Article
Solvent and substituent effects on the electronic structures of triazoles: computational study
Shibl, Mohamed F., Elroby, Shabaan A.K., Hilal, Rifaat H.
Published in Molecular simulation (01.01.2011)
Published in Molecular simulation (01.01.2011)
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Journal Article
Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies
Khan, Salman A., Asiri, Abdullah M., Al-Ghamdi, Najat Saeed M., Asad, Mohammad, Zayed, Mohie E.M., Elroby, Shabaan A.K., Aqlan, Faisal M., Wani, Mohmmad Younus, Sharma, Kamlesh
Published in Journal of molecular structure (15.08.2019)
Published in Journal of molecular structure (15.08.2019)
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Journal Article
Molecular understanding of electron donor influences in dye-sensitized solar cells of novel series-based D-A’-(π-A)2
Elroby, Shabaan A.K., Bouzzine, Si Mohamed, Al-Ghamdi, Huda A., Alotaibi, Maha M., El-Shishtawy, Reda M.
Published in Materials science in semiconductor processing (01.10.2023)
Published in Materials science in semiconductor processing (01.10.2023)
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Journal Article
Effects of protonation and deprotonation on the reactivity of quinolone： A theoretical study
Shabaan, A. K. Elroby, Hassan, A. Ewais, Saadullah, G. Aziz
Published in Chinese science bulletin (01.05.2012)
Published in Chinese science bulletin (01.05.2012)
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Journal Article
Theoretical and computational studies of conformation, natural bond orbital and nonlinear optical properties of cis-N-phenylbenzohydroxamic acid
Aziz, Saadullah G., Elroby, Shabaan A.K., Hilal, Rifaat H., Osman, Osman I.
Published in Computational and theoretical chemistry (15.01.2014)
Published in Computational and theoretical chemistry (15.01.2014)
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