Alireza Fattahi, Ph.D. (Associate Professor)


Sharif University of Technology                                                               

Department of Chemistry

Azadi St., Tehran, Iran



Tel: 6616-5342,  

Fax: 6600-5718


·       Research interest:

-Computational Chemistry

-Modification of drug structures based on theirs chemistry & interaction with  corresponding receptors

-Metal complexation of model peptides & proteins

-Conformational analysis of bio molecules including amino acids, peptides, 

  nucleobase, carbohydrates  

-                Thermochemistry of organic reactions

          - Design of new category of bronsted-lowry acids & bases and exploring their 

          application as enantioselective catalyst


·         Academic:


  I- Ph.D.:  The University of Maine, USA, 2002.

  II- M.Sc.:  Shiraz University, Iran, 1994 (The First-Rank Honor Student” in M.Sc. program)

 III- B.Sc.:  Shiraz University, Iran (June 1992) (The First-Rank Honor Student” in B.Sc. program)


            Taught the following courses: 

              -Computational Chemistry              

             - Physical Organic Chemistry

              - Organic Chemistry I, II, III

              -Advanced Organic Chemistry

               -Advanced NMR

              - Application of Spectroscopy to Organic Chemistry

             - Physical Chemistry I and II

              - Fundamental of Molecular Spectroscopy

              - Introduction to Quantum Chemistry

              - General Chemistry I and II



·         Selected Publications:


-Bayat, Ahmad, and Alireza Fattahi. "A quantum chemical study on the OH radical quenching by natural antioxidant fisetin." Journal of Physical Organic Chemistry (2017).


-Bayat, Ahmad, and Alireza Fattahi. "The free radical scavenging activity of lespedezacoumestan toward˙ OH radical: A quantum chemical and computational kinetics study." Journal of Physical Organic Chemistry (2017).


-Ali A. Ahmadi, Alireza Fattahi, Computational and Theoretical Chemistry, 2015,  1067, 71–83

“Influence of a b-OH substituent on SN2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study”


 - Majid Vafaeezadeh, Alireza Fattahi, Computational and Theoretical Chemistry, 2015, 1071, 27–32

“DFT investigations for ‘‘Fischer” esterification mechanism over silica-propyl-SO3H catalyst: Is the reaction reversible?”


- Atena Najdiana, Mehdi Shakourian-Fard, Alireza Fattahi, J. Phys. Org. Chem. 2014, 27, 604–612

“Cooperativity effects of intramolecular OHO interactions on pKa values of polyolalkyl sulfonic acids in the gas phase and solution: a density functional theory study”


- Majid Vafaeezadeh and Alireza Fattahi, RSC Adv., 2014, 4, 16647–16654

“A study on the catalytic activity and theoretical modeling of a novel dual acidic mesoporous silica”


- Zahra Aliakbar Tehrani & Alireza Fattahi, J Mol Model, 2013, 19, 29933005

“Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine”


- Majid Vafaeezadeha and Alireza Fattahi, J. Phys. Org. Chem. 2013, 27, 163-167

“Interaction of ionic liquids with the surface of the silica gel using nanocluster approach: a combined density functional theory and experimental study”


- Hedieh Torabifard, Alireza Fattahi, Struct Chem, 2013, 24, 1–11

“DFT study on Thiotepa and Tepa interactions with their DNA receptor”


- Zahra Aliakbar Tehrania, Azar Abedina, Mehdi Shakourian-Fard, Alireza Fattahi,

J. Phys. Org. Chem. (2012)

“What roles do boron substitutions play in structural, tautomeric, base pairing and electronic properties of uracil? NBO & AIM analysis”


 - Marjan Jebeli Javan, Zahra Jamshidi, Zahra Aliakbar Tehrania, Alireza Fattahi, Org. Biomol. Chem., 2012, 10, 9373-9382

“Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation”


- Hedieh Torabifard, Alireza Fattahi, J Mol Model,  2012, 18, 3563-3576

“Mechanisms and kinetics of thiotepa and tepa hydrolysis: DFT study”


- Zahra Aliakbar Tehrani, Alireza Fattahi, Ali Pourjavadi, Carbohydrate Research, 2009, 344, 771-778

“DFT study of the interaction of cytidine & 2′-deoxycytidine with Li+, Na+, and K+: effects of metal cationization on sugar puckering and stability of the N-glycosidic bond”