Molecular understanding of electron donor influences in dye-sensitized solar cells of novel series-based D-A’-(π-A)2

Authors: Elroby, Shabaan A.K., Bouzzine, Si Mohamed, Al-Ghamdi, Huda A., Alotaibi, Maha M., El-Shishtawy, Reda M.

Source: In Materials Science in Semiconductor Processing October 2023 165

Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies

Authors: 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

Source: In Journal of Molecular Structure 15 August 2019 1190:77-85

Theoretical and computational studies of conformation, natural bond orbital and nonlinear optical properties of cis-N-phenylbenzohydroxamic acid

Authors: Aziz, Saadullah G., Elroby, Shabaan A.K., Hilal, Rifaat H., Osman, Osman I.

Source: In Computational and Theoretical Chemistry 15 January 2014 1028:65-71

Origin of the Extra Stability of Alloxan. A Computation Study

Authors: Allehyani, Basmah H., Elroby, Shabaan A.K., Aziz, Saadullah G., Hilal, Rifaat H.

Source: In Procedia Computer Science 2014 29:1366-1375

Theoretical Investigation of the Dispersion Interaction in Argon Dimer and Trimer

Authors: Hilal, Rifaat, Hassan, Walid M.I., Elroby, Shabaan A.K., Aziz, Saadullah G.

Source: In Procedia Computer Science 2013 18:826-834

Synthesis and characterization of nano-sized ceria powder via oxalate decomposition route

Authors: Gabal, M.A., Elroby, Shabaan A.K., Obaid, A.Y.

Source: In Powder Technology October 2012 229:112-118

Quantum mechanical studies of the protonation and N [sbnd]Br bond dissociation of the biologically important N-bromosuccinimide

Authors: Elroby, Shabaan A.K., Noamaan, Mahmoud A., Shibl, Mohamed F.

Source: In Journal of Molecular Structure: THEOCHEM 2009 915(1):93-97

Electronic structure of orotic acid II: Acidity, basicity, and interaction with water

Authors: Elroby, Shabaan A.K.

Source: In Journal of Molecular Structure: THEOCHEM 2007 803(1):67-72

Electronic structure of orotic acid III geometric feature and thermal properties of some transition metal orotic acid complexes

Authors: Hilal, Rifaat, Zaky, Z.M., Elroby, Shabaan A.K.

Source: In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2006 63(3):740-748

DFT investigation of nitrenium ions derived from metabolism of antitumor 2-(4-aminophenyl)benzothiazoles

Authors: Hilal, Rifaat, Khalek, Ahmed. A. Abdel, Elroby, Shabaan. A.K.

Source: In Journal of Molecular Structure: THEOCHEM 2005 731(1):115-121

Electronic structure of orotic acid I. Geometry, conformational preference and tautomerism

Authors: Hilal, Rifaat ^∗, Zaky, Z.M., Elroby, Shabaan A.K.

Source: In Journal of Molecular Structure: THEOCHEM 2004 685(1):35-42

A DFT study of the complexation behavior of hemispherands toward alkali metal cations.

Authors: Shibl, Mohamed F., Hameed, Salem A., Elroby, Shabaan A.K.

Source: International Journal of Quantum Chemistry; 2010, Vol. 110 Issue 14, p2645-2652, 8p, 4 Diagrams, 2 Charts, 1 Graph

Subject Terms: DENSITY functionals, FUNCTIONAL analysis, QUANTUM chemistry, PHYSICAL & theoretical chemistry, ALKALI metals, CATIONS, ANISYL group