Abdulhakim A. Ahmed

  Professor in Physical chemistry

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Chemistry department  - Faculty of science  -  Benghazi University     Libya

 Email: hakim.ahmed@uob.edu.ly   

https://www.researchgate.net/profile/Abdulhakim_Ahmed2

https://uob-ly.academia.edu/abdulhakimAhmed/

ORCID: 0000-0001-9237-5587

  Mobile phone 00218913208241 - 00218924519283

Software: Gaussian 03, 09 and HyperChem v.7.

Operating systems Windows and Unix

■    Quantum mechanical methods ( Ab initio; Density Function Theory and

  some Semi-empirical methods) have many practical applications to the

study of molecular structure and properties, e.g.

 

  The analysis of thermodynamic and kinetically stable intermediates

species during the reactions.

   Calculating relative conformational energies of a series of analogous

structures.

   Obtaining natural atomic charges and other orbital properties using NBO.

   Transition state search for conformers , tautomers. Potential energy

surface applications.

■   Atom in Molecule (AIM) analysis.

■   ADSORPTION: Calculations of binding and adsorption energies in metal clusters and their interaction with small molecules.

■   Free energy of solvation of some systems is a subject of interest.

Latest Publications (2018)

  Density Are there analogues of the indenyl effect in larger ring systems: a DFT study of hydride attack on [Mn(CO)3(naphthalene)]+ and [Cr(CO)3(benzotropylium)]+.    Struc. Chem (2018). https://doi.org/10.1007/s11224-018-1179-0

Latest Publications (2017)

  Density Functional Study of Intramolecular Proton Transfer and Vibrational Frequencies of Hydroxyaminogermanone. J. Chem. Pharm. Res. 9(10) 43-50 (2017).

Latest Publications (2015)

  E/Z-Iminol Conformational behavior of the substituted formohydroxamic: A DFT study. J. Chem. Pharm. Res. 7(4) 1215-1221 (2015).

Publications (2013)

  Quantum Mechanical Study of water-assisted effect of intramolecular proton transfer process in Silarhodanine.   Der. Chem. Sin. 4(5) 58-61 (2013).

  Equilibrium, Kinetic and thermodynamic Studies of  Silarhodanine tautomers by highly CBS-Q Method. J. Chem. Pharm. Res. 5(6) 209-214 (2013).

   Density Functional Study of the Intramolecular proton Transfer and Conformations in Hydroxyaminosilanethione.   J. Mol. Struc. 1032 5-11 (2013).

Publications (2012)

■     Thermodynamic and Kinetic Investigations of Silathioformohydroxamic acid  Conformers. Der. Chem. Sin. 3(4)  889-994 (2012).

   Water Assisted and Solvation Energies of Intramolecular Proton    Transfer Process in Thioformohydroxamic Structures. Der. Chem. Sin. 3(4)  884-890 (2012).

    Energetic and vibrational assignment of tautomerizm of (Hydroxyphosphino)silanethione: A theoretical study  Comput. Theo. Chem.  999 (2012) 251-258.

   A Quantum mechanical calculations of 1,2-Diphosphinoethane conformers. Ras.J.Chem., 5. NO. 1. 131-136 (2012).

Latest researches supervision

Density Functional Theory studies of the Structures, Energetic and Harmonic Vibrational Frequenciesof 5-thioxo-1,4,2-thiazasilolidin-3-one Tautomers in the gas-phase and water. In Progress

 

Theoretical investigations of hydride attack on [(p6-X)Mn(CO)3]+ (X= benzene

and naphthalene) DFT studies, M.Sc thesis, 2009 University of Garyounis.

 

DFT studies of some substituted thiohydroxamic acids, M.Sc Thesis; 2008,

University of Garyounis.

Scientific Qualification and Appointments

Research Fellow at Department of Chemistry, University of Oxford South Parks Road, Oxford OX1 3QZ. 

 June-September 2013.

Professor, Chemistry Department, Faculty of Science, University of

Benghazi (www.uob.edu.ly) Benghazi Libya since Aug. 2013.

Research Fellow at Department of Chemistry, University of Oxford South Parks Road, Oxford OX1 3QZ. 

 June 2012.

Registrar of the University, University of Garyounis www.garyounis.edu

Benghazi Libya since Nov. 2009 until Oct. 2010.

Head of the Chemistry Department, Faculty of Science, University of Garyounis

(www.garyounis.edu) Benghazi Libya 2008-2009

Associate Professor, Chemistry Department, Faculty of Science, University of

Garyounis (www.garyounis.edu) Benghazi Libya since Nov. 2007.

Honorary Research Fellow at Chemistry department, Faculty of Physical

Science, Glasgow University, UK. 1st May 2007.

Dean, Faculty of Science, Altahdi University, Siert, Libya (www.altahdi.org)

from October 2002 to October 2004

Assistant Professor, Chemistry Department, Faculty of Science, University of

Garyounis (www.garyounis.edu) Benghazi Libya since 1994.

Lecturer, Chemistry Department, University of Garyounis, Faculty of Science,

Benghazi Libya 1992 to 1994.

Ph. D. researcher at Chemistry department, University Collage Dublin, Belfield

D4, Ireland (www.ucd.ie) 1986 to 1991.

Demonstrator, Chemistry Department, University of Garyounis, Faculty of

Science, Benghazi Libya 1985 to 1986.

B. Sc. In chemistry, Chemistry Department, Faculty of Science, University of

Garyounis, Benghazi Libya 1980 to 1985.