Alireza Shayesteh

Journal Paper

1. "Ab initio potential energy curves and transition dipole moments for the low-lying electronic states of InAg"
   Hossein Sharifi, Alireza Shayesteh
   CHEMICAL PHYSICS LETTERS, Vol. 862, No 1, 2025
2. "Theoretical study of vibronic absorption spectra and Franck-Condon factors of copper and silver hydrides"
   Zeinab Mohammadian, Ali Maghari, Alireza Shayesteh
   CHEMICAL PHYSICS, Vol. 586, No 7, 2024
3. "Spin-orbit coupling in excited electronic states of AgH"
   Zeinab Mohammadian, Farnoush Nouri Gheimasi, Ali Maghari, Alireza Shayesteh
   CHEMICAL PHYSICS LETTERS, Vol. 849, No 7, 2024
4. "Multireference Ab Initio Calculations on Excited Electronic States of Carbazole-Based Organic Compounds for Thermally Activated Delayed Fluorescence"
   Fariba Sadat Mohammadian Sabet, Alireza Shayesteh
   JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 128, No 25, pp.4937-4949, 2024
5. "Carboxamide Fe(III) complex as the electrocatalyst of water oxidation reaction: WNA and I2M O–O bond formation pathways"
   Mohammad Reza Binaeizadeh, Ahmad Amiri, Alireza Shayesteh, Farzaneh Fadaei
   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, Vol. 51, No 1, pp.709-721, 2024
6. "Spin–orbit coupling in low-lying electronic states of CuH"
   Zeinab Mohammadian, Alireza Shayesteh
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, No 44, pp.30488-30500, 2023
7. "Two new metal-organic frameworks: Synthesis, characterization, gas adsorption and simulation"
   Barzin Safarkoopayeh, Ali Reza Abbasi, Alireza Shayesteh
   INORGANIC CHEMISTRY COMMUNICATIONS, Vol. 127, No 1, 2021
8. "How does counter-cation substitution influence inter- and intramolecular hydrogen bonding and electrospinnability of alginates"
   Maryam Asadi-Korayem, Mahdokht Akbari-Taemeh, Fariba Sadat Mohammadian Sabet, Alireza Shayesteh, Hamed Daemi
   International Journal of Biological Macromolecules, Vol. 171, No 1, pp.234-241, 2021
9. "Dual mode colorimetric-fluorescent sensor for highly sensitive and selective detection of Mg2+ ion in aqueous media"
   Behnam Majidi, Ahmad Amiri, Ali Reza Badiei, Alireza Shayesteh
   JOURNAL OF MOLECULAR STRUCTURE, Vol. 1213, No 1, 2020
10. "Ab Initio Calculations on Sequential Reactions of Nitric Oxide with Titanium Ions in the Gas Phase"
    [] [], Alireza Shayesteh
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 124, No 25, pp.5194-5203, 2020
11. "Fluorene-Functionalized, Dendrimer-Modified SBA-15: Detection of Iron(III) and Mercury (II) in Aqueous Media and Logic Gate Studies"
    Maryam Jafari, Ahmad Amiri, Ali Reza Badiei, Alireza Shayesteh
    ChemistrySelect, Vol. 4, No 1, 2019
12. "A 3D Polyoxoniobate-based Framework Showing Performance in Dye Removal from Aqueous Solution"
    Barzin Safarkoopayeh, Ali Reza Abbasi, Abdol Hadi Mokarizadeh, Alireza Shayesteh, Mahnaz Najafi
    Scientia Iranica, 2019
13. "Determination of pK a values for ( E )‐2‐hydroxy‐5‐(aryldiazenyl) benzaldehydes in dimethyl sulfoxide: Cyclic voltammetry and density functional theory calculations"
    فروزان زنوزی , Alireza Shayesteh, Taher Alizadeh, Hamid Dezhampanah, Bahram Ghalami-Choobar, Afsaneh Zanouzi
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, Vol. 66, No 7, 2019
14. "Ab initio calculations on low‐lying electronic states of PdH"
    Fathola A. Nabi, Alireza Shayesteh
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 119, No 13, 2019
15. "Ab initio calculations on low-lying electronic states of SiH+"
    Zeinab Biglari, Alireza Shayesteh, Shokouh Ershadifar
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, Vol. 221, No 1, pp.80-86, 2018
16. "Observation of low-lying electronic states of NiD with multi-isotope analysis"
    Mahdi Abbasi, Alireza Shayesteh, Patrick Crozet, Amanda Ross
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 349, No 1, pp.49-59, 2018
17. "Fluorescent and colorimetric dual mode probe for detection of iodide through iodide/triiodide equilibrium"
    Maryam Jafari, Ali Reza Badiei, Alireza Shayesteh, Ahmad Amiri
    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Vol. 364, No 1, pp.336-343, 2018
18. "Palladium-anchored multidentate SBA-15/di-urea nanoreactor: A highly active catalyst for Suzuki coupling reaction"
    Sahar Rohani, Ghodsi Mohammadi Ziarani, Ali Reza Badiei, A Ziyarati, Maryam Jafari, Alireza Shayesteh
    APPLIED ORGANOMETALLIC CHEMISTRY, Vol. 32, No 8, 2018
19. "NOT-INHIBIT Reversible Logic Gate Behavior of g-C3N4-Hg2+-Complexed Nanoparticles"
    Ghasem Shiravand, Ali Reza Badiei, Maryam Jafari, Alireza Shayesteh, Ghodsi Mohammadi Ziarani
    ChemistrySelect, Vol. 3, No 7, pp.2096-2102, 2018
20. "Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis"
    Alireza Shayesteh, Ehsan Ghazizadeh
    Physical Chemistry Research, Vol. 5, No 4, 2017
21. "Rotational analysis and deperturbation of the A 2 Π →  X 2 Σ+ and B′ 2 Σ+  →  X 2 Σ+ emission spectra of MgD"
    Maryam S. Motallebipour, Alireza Shayesteh
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, Vol. 201, No 1, pp.45-52, 2017
22. "Einstein A coefficients for rovibronic lines of the A2Π → X2Σ+ and B2Σ+ → X2Σ+ transitions of CaH and CaD"
    S. Fatemeh Alavi, Alireza Shayesteh
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Vol. 474, No 1, pp.2-11, 2017
23. "Fourier transform emission spectra and deperturbation analysis of the A 2 Π – X 2 Σ + and B 2 Σ + – X 2 Σ + electronic transitions of ZnH"
    Mahdi Abbasi, Alireza Shayesteh
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 340, No 1, pp.21-28, 2017
24. "Fourier transform emission spectra of the A 2 Π → X 2 Σ + and B 2 Σ + → X 2 Σ + transitions of ZnD"
    Ehsan Ghazizadeh, Alireza Shayesteh
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 339, No 1, pp.17-22, 2017
25. "Structural studies of bis(histidinato)nickel(II): Combined experimental and computational studies"
    Ali Reza Abbasi, Barzin Safarkoopayeh, Nikoo Khosravi, Alireza Shayesteh
    COMPTES RENDUS CHIMIE, Vol. 20, No 5, pp.467-474, 2017
26. "Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH"
    Alireza Shayesteh, S. Fatemeh Alavi, Moloud Rahman, Ehsan Gharibnezhad
    CHEMICAL PHYSICS LETTERS, Vol. 667, No 1, pp.345-350, 2017
27. "Analytic potential energy functions for the X1Σ+ and a3Π0+ states of InH from a direct-potential-fit data analysis"
    Alireza Shayesteh, Ehsan Ghazizadeh
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 330, No 1, pp.72-79, 2016
28. "A single optical sensor with high sensitivity for detection of Fe3+ and CN− ions"
    Jafar Afshani, Ali Reza Badiei, Maryam Jafari, Alireza Shayesteh, Mahdi Karimi, Negar Lashgari, قدسی محمدی زیارانی
    JOURNAL OF LUMINESCENCE, Vol. 179, No 1, pp.463-468, 2016
29. "Determination of ν2 fundamental band origin for BeH2 and BeD2 from deperturbation analysis of hot bands"
    Maryam S. Motallebipour, Alireza Shayesteh
    JOURNAL OF CHEMICAL PHYSICS, Vol. 145, No 7, 2016
30. "Synthesis, conformational assignment, and anti-inflammatory activities of N-arylidene-2-(4-chloro-2-(2-substituted phenoxy)phenyl)acetic acid hydrazides"
    Afraz Nakhostin, Samaneh Mirseyyedhosein, Mahsa Toolabi, Pariya Khodabakhsh, Helia Aghamiri, Soheila Ghaffari, Hamed Shafaroodi, Alireza Shayesteh, Mohsen Amini, Abbas Shafiee, Latifeh Navidpour
    MEDICINAL CHEMISTRY RESEARCH, Vol. 25, No 10, pp.2220-2236, 2016
31. "A Simple Colorimetric Chemosensor for Naked Eye Detection of Cyanide Ion"
    پریسا غلام زاده, قدسی محمدی زیارانی , Negar Lashgari, Ali Reza Badiei, Alireza Shayesteh, Maryam Jafari
    JOURNAL OF FLUORESCENCE, Vol. 26, No 5, pp.1857-1864, 2016
32. "A New Approach to Sensing H Using SBA-15 Grafted with Fluorene di-ammonium Groups and Theoretical study"
    Ali Reza Badiei, Marzieh Yadavi, Alireza Shayesteh, Maryam Jafari, Ghodsi Mohammadi Ziarani
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, Vol. 63, No 4, pp.368-375, 2016
33. "Deperturbation of the 011→010 hot band for ZnH2 and ZnD2"
    Maryam S. Motallebipour, Alireza Shayesteh
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 318, No 1, pp.34-39, 2015
34. "Ab initio potential energy curves and transition dipole moments for the low-lying electronic states of NeH+"
    Bentolhoda Gerivani, Alireza Shayesteh, Ali Maghari
    Computational and Theoretical Chemistry, Vol. 1070, No 1, pp.82-87, 2015
35. "Dunham coefficients for the X1Σ+ ground state of BH and BD"
    Alireza Shayesteh, Ehsan Ghazizadeh
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 312, No 1, pp.110-112, 2015
36. "Structural stability of myoglobin and glycomyoglobin: a comparative molecular dynamics simulation study"
    Joulia Alizadeh, Alireza Shayesteh, آزاده ابراهیم حبیبی
    JOURNAL OF BIOLOGICAL PHYSICS, Vol. 41, No 4, 2015
37. "Ab initio potential energy curves and transition dipole moments for the low-lying states of CH+"
    Zeinab Biglari, Alireza Shayesteh, Ali Maghari
    Computational and Theoretical Chemistry, Vol. 1047, No 1, pp.22-29, 2014
38. "Potential energy curves for the ground and low-lying excited states of CuAg"
    Davood Alizadeh, زهرا جمشیدی, Alireza Shayesteh
    JOURNAL OF CHEMICAL PHYSICS, Vol. 141, No 15, 2014
39. "Spin–orbit and relativistic all-electron potential energy curves for the ground and low-lying excited states of AgAu"
    Davood Alizadeh, Zahra Jamshidi, Alireza Shayesteh
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 15, No 42, 2013
40. "Accurate Analytic Potential and Born–Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis"
    Robert Henderson, Alireza Shayesteh, Jason Tao, Carl Haugen, Peter Bernath, Robert Le Roy
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 117, No 50, 2013
41. "Einstein A coefficients for rovibronic lines of the A 2   -> X 2 + and B' 2 +-> X 2  + transitions of MgH"
    Ehsan Gharibnezhad, Alireza Shayesteh, Peter Bernath
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Vol. 432, No 3, pp.2043-2047, 2013
42. "Fourier transform emission spectra of the A2Π→X2Σ+ and B2Σ+→X2Σ+ band systems of CaH"
    Alireza Shayesteh, Ram Ram, Peter Bernath
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 288, No 288, pp.46-51, 2013
43. "Fourier transform emission spectra of the A-X and B-X transitions of CaD"
    Ehsan Gharibnezhad, Alireza Shayesteh, Peter Bernath
    JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 281, No 1, 2012
44. "Ab initio potentional energy curves and transition dipole moments for the X 2SIGMA A 2PI and B 2SIGMA states of MgH"
    Mohammad Mostafanejad, Alireza Shayesteh
    CHEMICAL PHYSICS LETTERS, Vol. 551, No 1, 2012
45. "Rotational analysis and deperturbation of the A - X and B - X emission spectra of MgH"
    Alireza Shayesteh, Peter Bernath
    JOURNAL OF CHEMICAL PHYSICS, Vol. 134, No 9, 2011
46. "Deperturbation of the nu3 band of BeD2"
    Alireza Shayesteh, Peter Bernath
    JOURNAL OF CHEMICAL PHYSICS, Vol. 134, No 1, 2011
47. "Potential energy surface, quartic force fields and vibrational levels of chlorine dioxide anion"
    Alireza Shayesteh, Elahe Falatooni, Maryam S. Motallebipour
    Iranian Journal of Physics Research, Vol. 21, No 4, 2022

Conference Paper

1. "Time-Dependent Density Functional Theory"
   Alireza Shayesteh
   9th Theoretical and Computational Chemistry Workshop, 2020
2. "Spin-Orbit Coupling Matrix Elements in Electronic States of PdH"
   Alireza Shayesteh, Fathola A. Nabi
   22nd Iranian Physical Chemistry Conference, 2019
3. "Calculation of Electronic Spectra for Carbazole Derivatives for Applications in Thermally Activated Delayed Fluorescence"
   Fariba Sadat Mohammadian Sabet, Alireza Shayesteh
   22nd Iranian Physical Chemistry Conference, 2019
4. "Rotational and Spin-Orbit Hamiltonian Matrices for Low-Lying States of NiH"
   Alireza Shayesteh, Fathola A. Nabi
   22nd Iranian Physical Chemistry Conference, 2019
5. "Efficient organic light-emitting diodes from delayed fluorescence"
   Fariba Sadat Mohammadian Sabet, Alireza Shayesteh
   21st ICS Physical Chemistry Conference, 2018
6. "The prediction of absorption and emission wavelengths in thermally activated delayed fluorescence(TADF) organic light-emitting diodes(OLEDs)"
   Fariba Sadat Mohammadian Sabet, Alireza Shayesteh
   20th Iranian Chemistry Congress, 2018
7. "Excited Electronic States of Diatomic Molecules"
   Alireza Shayesteh
   7th Theoretical and Computational Chemistry Workshop and Seminar, 2018
8. "Ab initio potential energy curves for the ground and low-lying excited states of AlAu"
   Sadaf Ehtesabi, Alireza Shayesteh
   19th Iranian Physical Chemistry Conference, 2016
9. "Ab initio potential energy curves for the ground and excited states of AlH"
   Fahimeh Aghababazadeh, Alireza Shayesteh
   19th Iranian Physical Chemistry Conference, 2016
10. "Ab initio theoretical study on electronic spectra of pyrimidine and triazine molecules"
    Paniz Elchian, Alireza Shayesteh
    19th Iranian Physical Chemistry Conference, 2016
11. "AB initio potential energy curves for the ground and excited states of CsH"
    Amir Hassan Khodadadi, Alireza Shayesteh, Majid Hamzeh Lo
    19th iranian physical chemistry conference, 2016
12. "Ab initio potential energy curves for the ground and low-lying excited electronic states of SnH+"
    Ehsan Ghazizadeh, Alireza Shayesteh
    19th Iranian Physical Chemistry Conference, 2016
13. "Deperturbation analysis of the nu3 fundamental and hot bands of gaseous BeH2"
    Maryam S. Motallebipour, Alireza Shayesteh
    18th Iranian Physical Chemistry Conference, 2016
14. "Theoretical Investigation on the Mechanism of Gas Phase Reaction between IrPt+ Ion and Methane Using Ab Initio and DFT Methods"
    Vahabi Y.s., Alireza Shayesteh, Hassan Behnejad
    18th Iranian Physical Chemistry Conference, 2016
15. "theoritical investigation on the mechanism of gas phase reaction between PtCu+ Ion and methane using density functional theory"
    Roghayeh Babapour, Alireza Shayesteh, Majid Hamzeh Lo
    18th iranian physical chemistry conference, 2016
16. "Einstein A coefficients for the A1PI-X1SIGMA+ and b3SIGMA--a3PI band systems of CH+ and CD+"
    S. Fatemeh Alavi, Alireza Shayesteh
    18th Iranian Physical Chemistry Conference, 2016
17. "Determination of the ground state potential energy curve for CaH from analysis of visible and infrared spectra"
    Ehsan Ghazizadeh, Alireza Shayesteh
    18th Iranian Physical Chemistry Conference, 2016
18. "Ab initio potential energy curves for the low-lying electronic states of TlH"
    S. Ehsan Ghasempouri, Alireza Shayesteh
    18th Iranian Physical Chemistry Conference, 2016
19. "Rovibronic line intensities of Ca"
    S. Fatemeh Alavi, Alireza Shayesteh
    17th Iranian Physical Chemistry Conference, 2014
20. "Spin-Orbit and Relativistic Potential Energy Curves for the Ground and Low-Lying Excited States of NeH+"
    Bentolhoda Gerivani, Alireza Shayesteh, Ali Maghari
    17th Iranian Physical Chemistry Conference, 2014
21. "Spin-orbit and Relativistic All-electron Potential Energy Curves for the Ground and Low-Lying Excited States of AgAu"
    Davood Alizadeh, زهرا جمشیدی, Alireza Shayesteh
    16th Iranian Physical Chemistry Conference, 2013
22. "Local perturbations between 011 and 040 vibrational levels of ZnH2"
    Alireza Shayesteh, Maryam S. Motallebipour
    16th Iranian Physical Chemistry Conference, 2013
23. "Ab initio potential energy curves and transition dipole moments for the low-lying singlet states of CH+"
    Zeinab Biglari, Alireza Shayesteh, Ali Maghari
    16th Iranian Physical Chemistry Conference, 2013
24. "Theoretical investigation on the mechanism of gas phase reaction between PtAu+ ion and methane using ab initio and DFT methods"
    Fatemeh Arab, Alireza Shayesteh
    16th Iranian Physical Chemistry Conference, 2013
25. "Molecular dynamic simulation study on native and glycated form of myoglobin"
    Joulia Alizadeh, آزاده ابراهیم حبیبی, Alireza Shayesteh
    15th Iranian Physical Chemistry Seminar, 2012
26. "Calculation of Rovibronic Transition Intensities for Diatomic Molecules"
    Ehsan Gharibnezhad, Alireza Shayesteh
    15th Iranian Physical Chemistry Seminar, 2012
27. "Determination of Dunham constants and potential energy curves for InH from combined analysis of UV/visible and infrared spectra"
    Ehsan Ghazizadeh, Alireza Shayesteh
    15th Iranian Physical Chemistry Seminar, 2012
28. "A theoretical investigation on the stability y of several endohedral mixed-metal nitride cluster fullerenes using DFT"
    Moloud Rahman, Alireza Shayesteh
    15th Iranian Physical Chemistry Seminar, 2012
29. "Spectroscopy of Metal Hydrides"
    Alireza Shayesteh
    15th Iranian Chemistry Congress, 2011
30. "A DFT-Based Study of the Room-Temperature Reactions of CH3F with Main-Group Atomic Cations Ga Ge As and Se"
    Marjan Firouzbakht, زهرا جمشیدی, Alireza Shayesteh
    14th Iranian Physical Chemistry Seminar, 2011
31. "Ground state potential energy curve of CN from direct-potential-fit analysis of spectroscopic data"
    Emran Masoumi Feshani, Alireza Shayesteh
    14th Iranian Physical Chemistry Seminar, 2011
32. "Direct-potential-fit analysis of the A 1PI-X 1SIGMA spectra of CH"
    Alireza Shayesteh, Emaran Masoumi
    14th Iranian Physical Chemistry Seminar, 2011
33. "Determination of Dunham constants and potential energy curves for BH from combined analysis of UV/visible and infrared spectra"
    Ehsan Ghazizadeh, Emran Masoumi Feshani, Alireza Shayesteh
    14th Iranian Physical Chemistry Seminar, 2011
34. "Local perturbations in the 001 vibrational state of BeD2"
    Alireza Shayesteh
    13th Iranian Physical Chemistry Seminar, 2010
35. "FPA141"
    Moloud Rahman, Alireza Shayesteh
    1st National Congress and Workshop on Nanoscience and Nanotechnology, 2013
36. "FPB14"
    Ameneh Zare, Alireza Shayesteh, Ali Reza Abbasi
    1st National Congress and Workshop on Nanoscience and Nanotechnology, 2013
37. "FPB13"
    مریم صابونی, Alireza Shayesteh
    1st National Congress and Workshop on Nanoscience and Nanotechnology, 2013
38. "FPB25"
    Majid Gharib, Alireza Shayesteh
    1st National Congress and Workshop on Nanoscience and Nanotechnology, 2013