Ahmed Shalaby|Publications

Benha University

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Prof. Ahmed Shalaby :: Publications:

Research Fields

Body Energies

Mathematical Chemistry

Excited State Properties

initio Calculations

Molecular Graphs

Edge Eraure Technique

Spectral Moments

Number of publications is 17

Title

1-DFT study of adsorbing SO2, NO2, and NH3 gases based on pristine and carbon-doped Al24N24 nanocages

Abstract' | Full paper

2-Metallophthalocyanine and Metallophthalocyanine–fullerene complexes as potential dye sensitizers for solar cells DFT and TD-DFT calculations

Abstract' | Full paper

3-Ab initio Calculations of Many Body Energy Expansion in Linn+F- Clusters.I.J.Quantum Chemistry 41 (1992) 281U.S.A

4-Ground and Excited State Properties of Many Body Energies in Linn+F- ions.Molec. Phys. 75, 6 (1992) 1365U.K

5-Ground and Excited State Properties of Many Body Energies in Linn+F- ions.Molec. Phys. 75, 6 (1992) 1365U.K

6-Normal Coordinate Analysis of IOF5, ReOF5 and OsOF5Gazzetta Chimica Italiana 121 (1991) 555Italy

7-Random Walks: Computations and Applications to ChemistryJ.Chem. Inf. Comput. Sci. 31(1991) 483U.S.A

8-Random Walks: Computations and Applications to ChemistryJ.Chem. Inf. Comput. Sci. 31(1991) 483U.S.A

9-Nodal Configurations and Many Body Energies in Li33+,F33+,F22- ions at Crystal and Cluster Geometries.Chemical Physics, 156 (1991) 359U.S.A

10-Structural Investigation of Isatin – Arylhydrazone Derivatives byUV, IR, H-NMR Spectra and PPP CI CalculationsSpectro Chimica Acta 44A 8 (1987) 849U.S.A

11-On the Ordering of Kekule Structures : Spectral Moments of Factors Graphsof Benzenoid HydrocarbonsCommunications MATCH in Mathematical Chemistry 17(1985) 11W. Germany

12-Edge Eraure Technique of Computing the Characteristic Polynomialof Molecular GraphsCommunications MATCH in Mathematical Chemistry 18(1985)3W. Germany

13-Hessenberg Matrix In Molecular Graph TheoryChimica Scripta 25 (1985) 252Sweden

14-Rates and mechanisms of the intermolecular cation-exchangereactions of sodium tetraphenyl boron with sodium- nitrobenzeneand with sodium- p-nitrobenzonitrile}Organic Magnetic Resonance 22 7(1984) 456 U.S.A

15-Topological Properties of Beneziod Systems : On Hosoya Topological Index.Z. Naturforsch 39A(1984)797W. Germany

16-On the Ordering of Kekule Structures : Spectral Moments as Measuresof Conjugation in Cyclobutadiene DerivativesCommunications MATCH in Mathematical Chemistry 14(1983)191}W. Germany

17-ESR studies of ion association: effects on ion pairing onhyperfine splittings in p-substituted Nitrobenzene anionsJCS.Faraday II 76 (1980) 822. U.K.

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