A-Reza Nekoei
Associate Professor of physical chemistry
Academic Appointments
A-Reza Nekoei received his BSc degree in pure chemistry from the Persian Gulf University in 2001, his MSc degree in physical chemistry from Shiraz University in 2003, and his PhD degree in molecular spectroscopy fields from Ferdowsi University of Mashhad in 2008. He has been invited to the University of British Colombia (UBC), Vancouver, Canada, as a visitor researcher, and has been as an academic visitor for 6 months (2007-2008) in the Viking Research Group at the University of Otago, Dunedin, New Zealand. |
In 2009, as an assistant professor, he joined the chemistry group of faculty of basic sciences in Shiraz University of Technology, Shiraz, Iran. From 2009 till now he has supervised and advised more than 20 MSc theses. Also, from 2014 when the group started the PhD program in physical chemistry field, Dr. Nekoei has been in supervising and advising of 4 PhD theses. |
He is presently an associate professor of physical chemistry in chemistry department of Shiraz University of Technology. His interests are in the fields of Computational Chemistry, Vibrational Spectroscopy, Intramolecular Hydrogen Bonding, beta-Dicarbonyls, and Double Minimum Potentials. |
Also, He had been the head of chemistry department of university from 2012 till 2020. |
Honors & Awards
- Distinguished Instructor of Chemistry Department (2009)
- Received Letter of Gratitude in Educational Affair from University (2011)
- Received Letter of Gratitude in Educational Affair from Faculty of Basic Sciences (2012)
- Award for Active Member of Chemistry Department in Educational Affair (2012, Letter of Gratitude from University)
- Award for Distinguished Researcher of Chemistry Department (2014, Letter of Gratitude from University)
- Award for Distinguished Instructor of Chemistry Department (2014, Letter of Gratitude from University)
- Award for Distinguished Researcher of Chemistry Department (2015, Letter of Gratitude from University)
- Award for Distinguished Instructor of Shiraz University of Technology (2018, Letter of Gratitude from University)
- Award for Distinguished Instructor of Chemistry Department (2020, Letter of Gratitude from University)
Contact
Email:
nekoei@sutech.ac.ir
Professional Education
- B.Sc., Persian Gulf University, Pure Chemistry (2001, Graduated as the Top Student)
- M.Sc., Shiraz University, Physical Chemistry (2003, Graduated as the Top Student)
- Ph.D., Ferdowsi University of Mashhad, Physical Chemistry (2008, Graduated as the Top Student)
Courses
2021-2 Courses
- Quantum Chemistry II (M.Sc. Course)
- Quantum Chemistry III (Ph.D. Course)
- Molecular Spectroscopy (M.Sc. Course)
- New Aspects in Physical Chemistry (M.Sc. Course)
- Computational Chemistry in Drug Designing (M.Sc. Course)
- Special Topics in Physical Chemistry (M.Sc. Course)
- New Aspects in Physical Chemistry (Ph.D. Course)
Current Research
- Molecular Structure
- Intramolecular Hydrogen Bonding
- Nanomaterials
- Molecular Spectroscopy (IR & Raman)
All Publications
Journal Publications
- V. Darugar, M. Vakili, M. Tahriri, A. R. Berenji, A-R. Nekoei, A. Kanaani, “First‑principle study on the conductance performance of Salicylidene Ethylamine molecular optical switch and its alkyl halide derivatives”, Opt. Quantum Electron., 54 (2022) 542, https://doi.org/10.1007/s11082-022-03929-9.
- N. Farbodnia, M. Vakili, A. Kanaani, A.R. Nekoei, “Electronic transport behavior of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (a diarylethene) as optical molecular switch: a first‑principles approach”, Theor. Chem. Acc., 140 (2021) 142, https://doi.org/10.1007/s00214-021-02837-7.
- S. Haghgoo, A-R. Nekoei, “Metal oxide adsorption on fullerene C60 and its potential for adsorption of pollutant gases; density functional theory studies”, RSC Adv., 11 (2021) 17377-17390, https://doi.org/10.1039/D1RA02251B.
- A-R. Nekoei, Z. Hamzavi Hamzekhani, “Structural, Electronic, Vibrational and Optical Properties of All 23 Isolated-Pentagon Rule Isomers of C58N2 Azafullerene; A DFT Study”, Theor. Chem., 1196 (2021) 113123, https://doi.org/10.1016/j.comptc.2020.113123.
- S. Haghgoo A-R. Nekoei, “DFT investigation on electrophilic and nucleophilic activities of some nitrogen-doped fullerenes, in comparison to C60”, Struct. Chem., 31 (2020) 385-397.
- A-R. Nekoei, M. Vatanparast, “p-Hydrogen bonding and aromaticity:a systematic interplay study”, Chem. Chem. Phys., 21 (2019) 623-630.
- P. Malekhosseini, M. Alami, M. Khomeiri, S. Esteghlal, A-R. Nekoei, S.M.H. Hosseini, “Development of casein-based nanoencapsulation systems for delivery of epigallocatechin gallate and folic acid”, Food Sci Nutr., 7 (2019) 519-527.
- A-R. Nekoei, S. Haghgoo, “DFT investigation on some nitrogen-doped fullerenes with more antiradical and antioxidant activities than C60”, Chem., 30 (2019) 1737-1748.
- N. Ghayoura, S.M.H. Hosseini, M.H. Eskandari, S. Esteghlal, A-R. Nekoei, H.H. Gahruie, M. Tatar, F. Naghibalhossaini, “Nanoencapsulation of quercetin and curcumin in casein-based delivery Systems”, Food Hydrocoll., 87 (2019) 394-403.
- A. Omidvar, S.F. Tayyari, M. Vakili, A-R. Nekoei, “Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate”, Spectrochim. Acta, 191A (2018) 558–565.
- Afzali, M. Vakili, E. Boluri, S.F. Tayyari, A-R. Nekoei, M. Hakimi-Tabar, V. Darugar, “Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study”, Spectrochim. Acta, 190A (2018) 15.
- A. Omidvar, S.F. Tayyari, M. Vakili, A-R. Nekoei, “Normal coordinate analysis of pyridine and its C2v 2H-isotopomers. A new approach”, J. Mol. Struct., 1151 (2018) 236-244.
- A-R. Nekoei, Z. Hamzavi Hamzekhani, “Theoretical studies on structural, electronic, vibrational, and photonic properties of all isomers of C58N2 azafullerene”, Quan. Chem. Spectrosc., 21 (2017) 1.
- A-R. Nekoei, S. Haghgoo, “Theoretical study on azafullerene structures with many N-N connections, having an opening cavity”, Theor. Chem., 1121 (2017) 35-43.
- F. Mirpoor, S.M.H. Hosseini, A-R. Nekoei, “Efficient delivery of quercetin after binding to beta-lactoglobulin followed by formation soft-condensed core-shell nanostructures”, Food Chemistry, 233 (2017) 282.
- R. Darugar, M. Vakili, A-R. Nekoei, S.F. Tayyari, R. Afzali, “Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1-phenyl-1,3-butanedione; Experimental and theoretical studies”, J. Mol. Struct., 1150 (2017) 427.
- A-R. Nekoei, M. Keyhanian, F. Gheisi, “Investigation of reason for vanishing nucleophilic character of nitrogen atom in some isatin pharmaceutical derivatives using DFT and NBO studies”, Quan. Chem. Spectrosc., 18 (2016) 68.
- A-R. Nekoei, M. Vatanparast, “Theoretical investigation on intermolecular hydrogen bond formation and its influence on the anomeric effect in α-chloro-O-oxime ether derivatives”, Quan. Chem. Spectrosc., 17 (2016) 57.
- Vatanparast, A-R. Nekoei, “Influences of aromaticity and halogen bond on each other; DFT and NBO studies”, J. Quan. Chem. Spectrosc., 17 (2016) 45.
- A-R. Nekoei, R. Ghajari, “Theoretical Study on Metal Complex Formation of N-Phenylaza-15-Crown 5-Ether”, Quan. Chem. Spectrosc., 16 (2016) 63.
- N. Soltani-Rad, M. T. Sharbati, S. Behrouz, A.-R. Nekoei, “Fabrication of non-doped red organic light emitting diode using naturally occurring Curcumin as a donor-acceptor-donor (D-A-D) emitting layer with very low turn-on voltage”, Iran. J. Sci. Technol., 39A3 (2015) 297.
- A-R. Nekoei, M. Olyaei, “Theoretical Study on Gas Phase Formation of Some Metal Complexes of Propyl-aza-15-crown-5”, Quan. Chem. Spectrosc., 12 (2015) 53.
- A-R. Nekoei, S. Haghgoo, “Introduction and theoretical investigation of new azafullerene structures with nitrogen belts”, Theor. Chem., 1067 (2015) 148.
- A-R. Nekoei, M. Vatanparast, “RAHB concept and σ-skeleton in some oximes of 3-hydroxy fulvene; DFT, AIM, ELF and NBO studies”, Chem., 26(4) (2015) 1039.
- A-R. Nekoei, M. Vatanparast, “An intramolecular hydrogen bond study in some Schiff bases of fulvene: a challenge between the RAHB concept and the σ-skeleton influence”, New J. Chem., 38 (2014) 5886.
- Afzali, M. Vakili, A.-R. Nekoei, S.F. Tayyari, “Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione”, J. Mol. Struct., 1076 (2014) 262.
- -R. Nekoei, S.F. Tayyari, M. Vakili, “Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies”, J. Mol. Struct., 1075 (2014) 85.
- -R. Nekoei, M. Vakili, M. Hakimi-Tabar, S.F. Tayyari, R. Afzali, H.G. Kjaergaard, “Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane”, Spectrochim. Acta, 128A (2014) 272.
- N. Soltani-Rad, S. Behrouz, A.-R. Nekoei, “Highly Efficient One-Pot Synthesis of N-Alkyl Sulfonamides from Alcohols Using N-(p-Toluenesulfonyl) Imidazole (Tsim)”, Phosphorus Sulfur, 189 (2014) 465.
- A-R. Nekoei, M. Vatanparast, “Generalized anomeric effect of α-chloro-O-oxime ethers; influence of various substitutions by DFT, NBO and AIM studies”, Theor. Chem., 1029 (2014) 13.
- T. Sharbati, F. Panahi, A.-R. Nekoei, F. Emami, K. Niknam, “Blue to red electroluminescence emission from organic light-emitting diodes based on π-conjugated organic semiconductor materials”, J. Photon. Energy, 4 (2014) 043599-1.
- Vakili, S.F. Tayyari, M. Hakimi-Tabar, A.-R. Nekoei, S. Kadkhodaei, “Structure and Vibrational Assignment of Bis(benzoylacetonato)copper(II)”, J. Mol. Struct., 1058 (2014) 308.
- Afzali, M. Vakili, S.F. Tayyari, H. Eshghi, A.-R. Nekoei, “Conformational Analysis, Intramolecular Hydrogen Bonding, and Vibrational Assignment of 4,4-Dimethyl-1-phenylpentane-1,3-dione”, Spectrochim. Acta, 117A (2014) 284.
- A-R. Nekoei, N. Zakerabbasali, “DFT and NBO Studies on Intramolecular Hydrogen Bonding of Some Imide Compounds”, Quan. Chem. Spectrosc., 7 (2013) 46.
- A-R. Nekoei, M. Vatanparast, “Theoretical investigation on intramolecular Hydrogen bonding of some fulvene’s derivatives”, Quan. Chem. Spectrosc., 6 (2013) 58.
- Vakili, A-R. Nekoei, S. F. Tayyari, A. Kanaani, N. Sanati, “Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione”, J. Mol. Struct., 1021 (2012) 102.
- A-R. Nekoei, Z. Hajian, M. Vakili, “Intramolecular Hydrogen Bonding in α-halo-3,5-Heptanedione; Density Functional Theoretical Studies”, Quan. Chem. Spectrosc., 4 (2012) 69.
- N. Soltani-Rad, S. Behrouz, A-R. Nekoei, “8-Bromocaffeine (8-BC): a New Versatile Reagent for Conversion of Aldoximes into Nitriles”, Synlett, 23 (2012) 1191.
- Tavallali, S. Lalehparvar, A-R. Nekoei, M. Ghane Jahromi, K. Niknam, “Sensitive Ion-Flotation Separation of Ag(I) Traces Using 2-(2-Methoxy phenyl)benzimidazole before Flame Atomic Absorption Spectrometric Determination in Water”, Clean–Soil, Air, Water, 40 (2012) 640.
- A-R. Nekoei, N. Sanati, M. Vakili, “Theoretical studies on halogen substitution in alpha position of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione”, Quan. Chem. Spectrosc., 3 (2011) 91.
- A-R. Nekoei, M. Vatanparast, M. N. Soltani-Rad, “DFT and NBO studies on anomeric effects of α-chloro ether and α-chloro-O-oxime ether compounds”, Quan. Chem. Spectrosc., 3 (2011) 87.
- A-R. Nekoei, M. Vakili, “Effect of CF3 Substitution in β Position on the Intramolecular Hydrogen Bond Strength of β-Diketones: A DFT Study”, Quan. Chem. Spectrosc., 2 (2011) 70.
- N. Soltani-Rad, S. Behrouz, A-R. Nekoei, Z. Faghih, A. Khalafi-Nezhad “Three-Component Synthesis of Some Novel N-Hetrocycle Methyl-O-oxime Ethers”, Synthesis, 24 (2011) 4068.
- Vakili, A-R. Nekoei, F. Mohammadi Zonoz, “Effect of Phenyl Substitutions in β Position on the Intramolecular Hydrogen Bond Strength of β-Dicarbonyl: A DFT Study”, J. Quan. Chem. Spectrosc., 1 (2011) 77.
- Vakili, S. F. Tayyari, A. Kanaani, A-R. Nekoei, S. Salemi, H. Miremad, R. E. Sammelson, “Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione”, J. Mol. Struct., 998 (2011) 99.
- T. Sharbati, M. N. Soltani-Rad, S. Behrouz, F. Emami, A-R. Nekoei, “Fabrication and Electrical Characterization of Red Organic Light Emitting Diode Using an isatin Derivative as an Organic Chromophore”, Opt. Eng., 50(4) (2011) 044002.
- Tavallali, S. Lalehparvar, A-R. Nekoei, K. Niknam, “Ion-flotation separation of Cd(II), Co(II) and Pb(II) traces using a new ligand before their flame atomic absorption spectrometric determinations in colored hair and dryer agents of paint”, J. Chin. Chem. Soc., 58(2) (2011) 199.
- Vakili, S. F. Tayyari, A-R. Nekoei, H. Miremad, S. Salemi, R. E. Sammelson “Structure, intramolecular hydrogen bonding, and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione”, J. Mol. Struct., 970 (2010) 160.
- A-R. Nekoei, S. F. Tayyari, M. Vakili, S. Holakoei, A. H. Hamidian, R. E. Sammelson, “Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone”, Mol. Struct., 932 (2009) 112.
- F. Tayyari, A-R. Nekoei, H. Rahemi, “Conformation, Structure, Intramolecular Hydrogen Bonding and Vibrational Assignment of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione”, J. Mol. Struct., 882 (2008) 153.
- F. Tayyari, H. Rahemi, A-R. Nekoei, M. Zahedi-Tabrizi, Y.A. Wang, “Vibrational Assignment and Structure of Dibenzoylmethane, A Density Functional Theoretical Study”, Spectrochim. Acta, 66A (2007) 394.
- F. Tayyari, M. Vakili, A-R. Nekoei, H. Rahemi, Y. A. Wang, “Vibrational Assignment and Structure of Trifluorobenzoylacetone: A Density Functional Theoretical Study”, Spectrochim. Acta, 66A (2007) 626.
- F. Tayyari, A-R. Nekoei, M. Vakili, M. Hassanpour, Y. A. Wang, “Conformational Stability, Molecular Structure, and Intramolecular Hydrogen Bonding of Thenoyltrifluoroacetone”, J. Theor. Comput. Chem., 5 (2006) 647.
- F. Tayyari, J. S. Emampour, M. Vakili, A-R. Nekoei, H. Eshghi, S. Salemi, M. Hassanpour, “Vibrational Assignment and Structure of Benzoylacetone: A Density Functional Theoretical Study”, J. Mol. Struct., 794 (2006) 204.
- Moghadasi, M. M. Papari, A-R. Nekoie, “Transport Properties of Some Polyatomic Gases from Isotropic and Effective Pair Potential Energies (Part II)”, Chem. Phys., 306 (2004) 229.
- A-R. Nekoei, S. Haghgoo, “Theoretical Study on the Absorption of some Metal Oxides on Fullerene C60 as Potential Detectors for NO2”, 22th Iranian Physical Chemistry Conference, Aug 2019, Zanjan, Iran.
- A-R. Nekoei, S. Haghgoo, “Electrophilic and Nucleophilic Activities of C40N20 and C42N18, a DFT Study”, 22th Iranian Physical Chemistry Conference, Aug 2019, Zanjan, Iran.
- A-R. Nekoei, S. Jamshidpanah, “The best computational indices for intramolecular hydrogen bond studying, confirmed by experimental observation”, 11th European Conference on Theoretical and Computational Chemistry “EUCO 2017”, Sep 2017, Barcelona, Spain.
- A-R. Nekoei, P. Mehdi Khoshouei, “A theoretical study on the electronic properties of Cu2O-graphene sheet for detection of NO2”, 5th International Conference on Multifunctional, Hybrid and Nanomaterials, Mar 2017, Lisbon, Portugal.
- A-R. Nekoei, S. Haghgoo, “Theoretical Investigation on Antiradical and Antioxidant Activity of C40N20 Nitrogen Doped Fullerene”, 19th Iranian Physical Chemistry Conference, Sep 2016, Guilan, Iran.
- A-R. Nekoei, S. Haghgoo, Z. Hamzavi, “Introduction of N-belt and N-pole azafullerene structures as candidates for application in molecular machines”, 13th International Congress of Young Chemists “YoungChem2015”, Oct 2015, Krakow, Poland.
- A-R. Nekoei, E. Mohammadian, “Second Virial Coefficient and Transport Properties for Pure SF6 Gas and Some of Its Binary Mixtures from Quantum Mechanics Intermolecular Potential Energy”, 2nd Iranian Student Chemistry Congress, Oct 2015, Rasht, Iran.
- A-R. Nekoei, M. Keyhanian, “Replacement of H atom for OH bond to estimate the intramolecular hydrogen bond energy in β-diketones”, 2nd Iranian Student Chemistry Congress, Oct 2015, Rasht, Iran.
- A-R. Nekoei, S. Jamshidpanah, “Correlation between Aromaticity and Intramolecular Hydrogen Bonding in Some β-diketone Compounds”, 18th Iranian Chemistry Congress, Aug 2015, Semnan, Iran.
- A-R. Nekoei, M. Khorramdel, M. Vatanparast, “Aromaticity and Intermolecular π-Hydrogen Bonding between HF and 2-Methylene-2H-Indene Derivatives”, 18th Iranian Chemistry Congress, Aug 2015, Semnan, Iran.
- A-R. Nekoei, M. Keyhanian, “Estimation of Intramolecular Hydrogen Bond Energy in β-Diketones”, 18th Iranian Chemistry Congress, Aug 2015, Semnan, Iran.
- A-R. Nekoei, Z. Hamzavi, D. Mohammad-Aghaie, “Theoretical Study on Azafullerene C50N10 with Chained Nitrogen Atoms”, 17th Iranian Chemistry Congress, Sep 2014, Rafsanjan, Iran.
- A-R. Nekoei, S. Parsa, “Hydrogen Bond Cooperativity in Some Alcoholic clusters: A DFT Study”, 17th Iranian Chemistry Congress, Sep 2014, Rafsanjan, Iran.
- A-R. Nekoei, Z. Hamzavi, “DFT Study on Isomeric Stability and Molecular Structure of C58N2 Azafullerene”, 17th Iranian Chemistry Congress, Sep 2014, Rafsanjan, Iran.
- A-R. Nekoei, S. Parsa, M.M. Alavian-Mehr, “DFT Study on the Hydrogen Bond Interactions in Some Alcoholic Binary Mixtures”, 17th Iranian Chemistry Congress, Sep 2014, Rafsanjan, Iran.
- A-R. Nekoei, Najafi, M. Azami, “DFT and NBO Studies on Bilirubin Interaction with Some Nanostructures”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, Safarzade, “Tert-Butyl Conformational NBO Analyses in Dipivaloylmethane”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, Haghgoo, “Theoretical Investigation of a New Nanostructure Fullerene; C40N20 with a Nitrogen Belt”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, Najafi, “Theoretical Study on the Structure and Intramolecular Hydrogen Bonding in Bilirubin”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, Safarzade, “Theoretical Study on Conformational Isomers of Acetylacetone; NBO Analyses”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, Haghgoo, M. Azami, “18 Linked Nitrogens Aza-Fullerene; Structural, Vibrational and Electronic Properties”, 16th Iranian Chemistry Congress, Sep 2013, Yazd, Iran.
- A-R. Nekoei, M. Olyaei, “Thermodynamic and Kinetic Parameters for Metal Complex Formation of Propyl-aza-15-Crown-5; A DFT Study”, 20th Iranian Seminar of Organic Chemistry, Jul 2013, Hamedan, Iran.
- A-R. Nekoei, M. Vatanparast, M. N. Soltani Rad, “DFT and NBO studies on the anomeric effect; Influences of various substituted phenyl groups in different oxime positions of α-halo-O-oxime ethers”, 10th International Congress of Young Chemists "YoungChem2012", Oct 2012, Gdansk, Poland.
- A-R. Nekoei, M. Vakili, Z. Hajian, “Resonance assisted intramolecular hydrogen bonding and keto content in 4-X-heptane-3,5-dione (X=F, Cl, Br), A DFT study”, 10th International Congress of Young Chemists "YoungChem2012", Oct 2012, Gdansk, Poland.
- Vakili, F. Bagherian, A-R. Nekoei, “Vibrational assignment and structure of Vanadyl acetylacetonate: A density functional theoretical astudy”, 15th Iranian Physical Chemistry Conference, Sep 2012, Tehran, Iran.
- A-R. Nekoei, N. Zakerabbasali, S. Behrouz, “Structure, tautomerism and intramolecular hydrogen bonding of β-keto sulfoxide compounds”, 15th Iranian Physical Chemistry Conference, Sep 2012, Tehran, Iran.
- A-R. Nekoei, N. Zakerabbasali, S. Behrouz, “Tautomerization in imide compounds; DFT and NBO studies”, 15th Iranian Physical Chemistry Conference, Sep 2012, Tehran, Iran.
- A-R. Nekoei, M. Vatanparast, M. N. Soltani Rad, “Comparing the anomeric effect in α-haloether and α-halo-O-oxime ether compounds; DFT and NBO studies”, 15th Iranian Physical Chemistry Conference, Sep 2012, Tehran, Iran.
- A-R. Nekoei, M. Vatanparast, M. N. Soltani Rad, “The anomeric effect in α-halo-O-oxime ethers; effects of different substitutions with different electronic properties”, 15th Iranian Physical Chemistry Conference, Sep 2012, Tehran, Iran.
- Vakili, A-R. Nekoei, B. Maleki, “Structure of 2,4,5-triphenyl-1H-Imidazole and the substitution effect of F, Cl, and OH groups in para position of 2-Ph ring; A DFT study”, 15th Iranian Chemistry Congress, Sep 2011, Hamedan, Iran.
- A-R. Nekoei, F. Gheisi, M. N. Soltani Rad, “Molecular Structure and Resonance Assisted N-H∙∙∙O Intramolecular Hydrogen Bond in 3-(2-phenylhydrazono) indolin-2-one; A DFT study”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- A-R. Nekoei, F. Gheisi, M. N. Soltani Rad, “Theoretical Investigation of Synthetic Strategies of Some Isatin Pharmaceutical Derivatives”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- A-R. Nekoei, N. Sanati, M. Vakili, “Intramolecular hydrogen bonding and keto content in α-halo-substituted 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- Lalehparvar, H. Tavallali, A-R. Nekoei, “A new ligand for flotation separation and preconcentration of Ag (I) traces from fresh waters before their determinations by FAAS”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- A-R. Nekoei, M. Vakili, “Keto content and intramolecular hydrogen bond in some β-dicarbonyls; A DFT study”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- Lalehparvar, H. Tavallali, A-R. Nekoei, “Development of a sensitive and environmentally friendly method for simultaneous preconcentration of some heavy metal traces before their spectrometric determinations in biological samples”, 14th Asian Chemical Congress (14ACC), Sep 2011, Bangkok, Thailand.
- A-R. Nekoei, M. Vakili, S. F. Tayyari, S. Salemi, “Resonance assisted intramolecular hydrogen bonding of 6-hydroxy-6-(2-thienyl)-2-thenoylfulvene”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- Gheisi, A-R. Nekoei*, M.N. Soltani Rad, “DFT Study and NBO Analysis of Vanishing Nucleophilic Character for N-alkylation in Some Isatin Derivatives”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- Hajian, A-R. Nekoei*, M. Vakili, A. Kanaani, “Molecular structure and intramolecular hydrogen bonding of Heptane-3,5-dione. A DFT study”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- Sanati, A-R. Nekoei*, M. Vakili, A. Kanaani, “Molecular structure and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione. A DFT study (Part I)”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- Vakili, A-R. Nekoei, A. Kanaani, S. F. Tayyari, “Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione. A vibrational spectroscopic study (Part II)”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- Salemi, A-R. Nekoei, S. F. Tayyari, S. Z. Banihashemi, “Conformations and Intramolecular hydrogen bonding in 3-Bromodibenzoylmethane”, 14th Iranian Physical Chemistry Conference, Feb 2011, Kish Island, Iran.
- A-R Nekoei, Z. Faghih, S. Behrouz, A. Khalafi-Nezhad, M. N. Soltani Rad, “Three-Component Synthesis of Some novel N-hetero methyl-O-oxime ethers and its theoretical aspect”, 18th International Conference on Organic Synthesis, Aug 2010, Bergen, Norway.
- A-R. Nekoei, S. F. Tayyari, M. vakili, “Conformation, Structure, Intramolecular H-bonding, and Vibrational Assignment of 1-(2-thienyl)-4,4,4-trifluorobutane-1,3-dione”, 13th Iranian Physical Chemistry Conference, Apr 2010, Shiraz, Iran.
- Vakili, S. H. Miremad, A-R. Nekoei, “Cis-enol conformers and intramolecular hydrogen bond strength of 2,6-Dimethyl-3,5-heptanedione”, 13th Iranian Physical Chemistry Conference, Apr 2010, Shiraz, Iran.
- Vakili, H. Miremad, S. Salemi, A-R. Nekoei, “Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione”, 13th Iranian Physical Chemistry Conference, Apr 2010, Shiraz, Iran.