Journal Paper

1. "Heme Catabolism by Heme Oxygenase and Model Reaction: What We Have Learned About Reaction Mechanism"
   Naser Safari, Farzaneh Pourmand, Mansoor Zahedi
   International Journal of New Chemistry, Vol. 11, pp.156-203, 2024
2. "Theoretical (DFT) study on the hydroxylation mechanism of Sn(IV)porphyrin: How does Sn(IV)porphyrin inhibit heme oxygenase catalysis function"
   Farzaneh Pourmand, Mansoor Zahedi, Naser Safari
   JOURNAL OF MOLECULAR STRUCTURE, Vol. 1253, 2022
3. "Hydrogenation of Carbon Dioxide into Formic Acid by Aluminum Ligated NNN Pincer Fullerene Through Metal-Ligand H2O-Assisted Pathway: A Computational Study"
   Maryam Anafcheh, Mansoor Zahedi
   CATALYSIS LETTERS, Vol. 151, pp.1-9, 2021
4. "Theoretical study of OH? nucleophilic attack on cobalt(II)-verdoheme complex"
   Farhad Ezadi, Homayoon Bahrami, Mansoor Zahedi
   JOURNAL OF PORPHYRINS AND PHTHALOCYANINES, Vol. 25, pp.210-223, 2021
5. "Computational Design of New N-Heterocyclic Silyl Pincer Fullerenes"
   Maryam Anafcheh, Mansoor Zahedi
   Silicon, Vol. ., pp.1-8, 2021
6. "QM study of interaction between arginine amino acid and Au clusters and the effects on arginine acidity"
   Mina Ghiasi, Shadi Bavafa, Mansoor Zahedi
   GOLD BULLETIN, Vol. 54, pp.45-57, 2021
7. "Separation of CH4, H2S, N2 and CO2 gases using four types of nanoporous graphene cluster model: a quantum chemical investigation"
   Mina Ghiasi, Parisa Zeinali, Samira Gholami, Mansoor Zahedi
   JOURNAL OF MOLECULAR MODELING, Vol. 27, 2021
8. "Hydroxyl bond activation of formic acid by Metal-ligand cooperation of new designed aluminum ligated pincer fullerenes"
   Maryam Anafcheh, Mansoor Zahedi
   CHEMICAL PHYSICS, Vol. 549, 2021
9. "Theoretical exploration of the LiF-decorated BN cages as hydrogen storage materials"
   Maryam Anafcheh, Mansoor Zahedi
   MONATSHEFTE FUR CHEMIE, Vol. 152, pp.931-938, 2021
10. "Computational Design of New Hydroborane Fullerene-Based Pincer Ligands"
    Maryam Anafcheh, Mansoor Zahedi
    JOURNAL OF CLUSTER SCIENCE, Vol. 32, pp.1-10, 2021
11. "Diels-Alder cycloaddition of the silicon-silicon bonds at pentagon junctions of Si-doped non-IPR and SW defective fullerenes"
    Maryam Anafcheh, Haniyeh Khanmohammadi, Mansoor Zahedi
    MONATSHEFTE FUR CHEMIE, Vol. 152, pp.241-250, 2021
12. "BN-Substituted non-classical fullerenes containing square rings"
    Maryam Anafcheh, Zahra abolfathi, Mansoor Zahedi
    PRAMANA-JOURNAL OF PHYSICS, Vol. 95, 2021
13. "The effect of external electric field and metal impurities on the interaction of HF and boraphene: a computational study"
    Masoud Arabieh, Mansoor Zahedi
    JOURNAL OF MOLECULAR MODELING, Vol. 27, 2021
14. "Carboxylated single-walled carbon nanotubes as a semiconductor for adsorption of acrylamide in mainstream cigarette smoke"
    Mehdi Yoosefian, Atef Pakpour, Mansoor Zahedi
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS and NANOSTRUCTURES, Vol. 124, 2020
15. "Coupled Cluster and Quantum Monte-Carlo study of anionic hydrogen clusters ? ? ? H (3 ( ) 11 n odd )"
    Amin Gholamrezamohammadi, Saeed Nasiri, Mansoor Zahedi
    CHEMICAL PHYSICS LETTERS, Vol. 744, 2020
16. "Quantum Monte Carlo study of ground and first excited state of C, N, O, F, and Ne atoms using Slater-Jastrow-Backflow wave function"
    Saeed Nasiri, Mansoor Zahedi
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 120, pp.1-9, 2020
17. "Quantum Monte Carlo simulations using Slater-Jastrow-backflow wave function"
    Saeed Nasiri, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 1189, 2020
18. "Sustainable conversion of carbon dioxide to formic acidwith Rh-decorated phosphorous-doped fullerenes: a theoreticalstudy"
    Maryam Anafcheh, Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 31, pp.1-10, 2020
19. "Towards Developing Efficient Metalloporphyrin-Based Hybrid Pho-tocatalysts for CO2Reduction; An Ab Initio Study"
    Azar Ostovan, Nick Papior, Mansoor Zahedi, Alireza Z. Moshfegh
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 22, pp.23128-23140, 2020
20. "Design of new pincer fullerene ligands thorough[2+3] cycloaddition of the azomethine ylides tofullerene cage: a DFT study"
    Maryam Anafcheh, Sara Hossein Ghanemi, Mansoor Zahedi
    MOLECULAR SIMULATION, Vol. 46, pp.565-572, 2020
21. "Addition of borazine to boron nitride nanotubes: [2+2] cycloaddition or bond cleavage"
    Maryam Anafcheh, Elaheh Ahmadi, Mansoor Zahedi
    MONATSHEFTE FUR CHEMIE, Vol. 150, pp.1019-1024, 2019
22. "QM/MM study of the conversion of biliverdin into verdoheme by heme oxygenase"
    Fatemehsadat Alavi, Mansoor Zahedi, Naser Safari, Ulf Ryde
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 138, 2019
23. "N-N bond cleavage and ring expansion at the surface of exchange and substitutional antisite defective boron nitride nanotubes by boron cluster: A density functional theory study"
    Maryam Anafcheh, Nasrin Shahbaz, Mansoor Zahedi
    PRAMANA-JOURNAL OF PHYSICS, Vol. 93, 2019
24. "Formation of boron nitride islands in the graphene nanoflakes: A DFT study"
    Maryam Anafcheh, Narges khodaei, Mansoor Zahedi
    MATERIALS CHEMISTRY AND PHYSICS, Vol. 223, pp.164-170, 2019
25. "Polarizability of the Si60H60 Derivatives Containing Epoxide Moieties (Si60H602nOn with n up to 30) A DFT Study"
    Maryam Anafcheh, Fereshteh Naderi, Fatemeh Ektefa, Reza Ghafouri, Mansoor Zahedi
    JOURNAL OF CLUSTER SCIENCE, Vol. 29, pp.889-896, 2018
26. "Thiozonation and thiozonolysis of triatomic sulfur (S3) on the C70 fullerene a DFT study"
    Maryam Anafcheh, Fereshteh Naderi, Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 29, pp.1299-1306, 2018
27. "A novel mechanism of heme degradation to biliverdin studied by QM/MM and QM calculations"
    Fatemehsadat Alavi, Mahin Gheydi, Mansoor Zahedi, Naser Safari, Ryde Ulf
    DALTON TRANSACTIONS, Vol. 47, pp.8283-8291, 2018
28. "Incorporation of topological defects and atomic impurities on the carbon nanotube surface: A DFT study of AD-dimer defects"
    Maryam Anafcheh, Fereshteh Naderi, Mansoor Zahedi
    HETEROATOM CHEMISTRY, Vol. 29, 2018
29. "QM/MM Study of the Conversion of Oxophlorin into Verdoheme by Heme Oxygenase"
    Fatemehsadat Alavi, Mansoor Zahedi, Naser Safari, Ulf Ryde
    JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 121, pp.11427-11436, 2017
30. "Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo--lactamase by Penicillin and Cephalexin Kinetic and Thermodynamic Points of View"
    Mina Ghiasi, Noohi Bahareh, Mansoor Zahedi
    Physical Chemistry Research, Vol. 5, pp.709-725, 2017
31. "Activation modelling of - and -class of carbonic anhydrase with amines and amino acids Proton transfer process within the active site from thermodynamic point of view"
    Mina Ghiasi, Somaye Hemati, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 1109, pp.42-57, 2017
32. "Synthesis structural characterization QSAR and docking studies of a new binuclear nickel (II) complex based on the flexible tetradentate N-donor ligand as a potent antibacterial and anticancer agent"
    Azizolla Beheshti, Faezeh Hashemi, Fatemeh Behavndi, Mansoor Zahedi, Maryam Kolahi, Hossein Motamedi, Peter Mayer
    INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, Vol. 104, pp.1107-1123, 2017
33. "A benchmark study of Li 2 Li 2 - LiH and LiH - Quantum Monte-Carlo and Coupled-Cluster computations"
    Saeed Nasiri, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 1114, pp.106-117, 2017
34. "Coupled Cluster and Quantum Monte-Carlo potential energy curves of the ground state of Be 2 and Be 2 molecules"
    Saeed Nasiri, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 1112, pp.27-36, 2017
35. "Chlorofluorofullerenes (CFFs)"
    Maryam Anafcheh, Fereshteh Naderi, Zahra Khodadadi, Fatemeh Ektefa, Reza Ghafouri, Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 28, pp.1707-1716, 2017
36. "Density functional theory studies on the conversion of hydroxyheme to iron-verdoheme in the presence of dioxygen"
    Mahin Gheydi, Naser Safari, Mansoor Zahedi
    DALTON TRANSACTIONS, Vol. 46, pp.2146-2158, 2017
37. "Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe and C70Fe"
    Maryam Anafcheh, Fereshteh Naderi, Zahra Khodadadi, Fatemeh Ektefa, Reza Ghafouri, Mansoor Zahedi
    JOURNAL OF MOLECULAR GRAPHICS and MODELLING, Vol. 72, pp.50-57, 2017
38. "Fullerene-C60 and crown ether doped on C60 sensors for high sensitive detection of alkali and alkaline earth cations"
    Fatemeh Alipour Zaghmarzi, Mansoor Zahedi, Adeleh Mola, Saboora Abedini, Sattar Arshadi, Saeed Ahmadzadeh, Nazanin Etminan, Omran Younesi, Elham Rahmanifar, Mehdi Yoosefian
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS and NANOSTRUCTURES, Vol. 87, pp.51-58, 2017
39. "The Theoretical and Experimental Studies on Oxidation of Straight Chain Amino Acids in Moderately Concentrated Sulfuric Acid Medium"
    Homayoon Bahrami, Gholamreza Jaferian, , Mansoor Zahedi, Ali Akbar Moosavi-Movahedi
    INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Vol. 48, pp.647-659, 2016
40. "Exploration of the binding properties of the human serum albumin sites with neurology drugs by docking and molecular dynamics simulation"
    Fatemehsadat Alavi, Rahim Ghadari, Mansoor Zahedi
    Journal of the Iranian Chemical Society JICS, Vol. 14, pp.19-35, 2016
41. "AlSi2P nanotubes a theoretical study"
    Reza Ghafouri, Fatemeh Ektefa, Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 27, pp.525-533, 2016
42. "Theoretical calculation and prediction for experimental design to obtain spin crossover complexes"
    Farshid Shahbazi raz, Maryam Adineh Arehjan, Naser Safari, Mansoor Zahedi
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 116, pp.1179-1186, 2016
43. "Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons A Comparative Analysis of the Optimized and the Promolecule Densities"
    Zahra Alimohammadi Keyvani, Shant Shahbazian, Mansoor Zahedi
    CHEMPHYSCHEM, Vol. 17, pp.3260-3268, 2016
44. "To What Extent are Atoms in Molecules Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities"
    Zahra Alimohammadi Keyvani, Shant Shahbazian, Mansoor Zahedi
    CHEMISTRY-A EUROPEAN JOURNAL, Vol. 22, pp.5003-5009, 2016
45. "Boron-nitride ad-unit and carbon ad-dimer defects in the boron nitride nanotubes"
    , , , Mansoor Zahedi
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Vol. 79, pp.7-13, 2015
46. "Comparison of the effects of sucrose molecules on alcohol dehydrogenase folding with those of sorbitol molecules on alcohol dehydrogenase folding using molecular dynamics simulation"
    Homayoon Bahrami, Mansoor Zahedi
    Journal of the Iranian Chemical Society JICS, Vol. 12, pp.1973-1982, 2015
47. "Accurate potential energy curves of Li2 and LiH A Quantum Monte-Carlo (QMC) study"
    Saeed Nasiri, Mansoor Zahedi
    CHEMICAL PHYSICS LETTERS, Vol. 634, pp.101-107, 2015
48. "QM study of complexation between natural bilirubin and poly-terthiophene carboxylic acid Mn(II) as a biosensor Temperature and interferences effect"
    Mina Ghiasi, Masoumeh Molaei, Mansoor Zahedi
    JOURNAL OF THEORETICAL and COMPUTATIONAL CHEMISTRY, Vol. 14, 2015
49. "A DFT comparative study of single and double SO2 adsorption on Pt-doped and Au-doped single-walled carbon nanotube"
    , Mansoor Zahedi, , Samira Naserian Moghani
    APPLIED SURFACE SCIENCE, Vol. 349, pp.864-869, 2015
50. "Theoretical study of the substituent effects on O H BDE of trans-resveratrol derivatives in water and benzene NBO analysis of intramolecular hydrogen bonds"
    Elyas Nazarparvar Noshadi, Mansoor Zahedi, Erik Klein
    STRUCTURAL CHEMISTRY, Vol. 26, pp.47-59, 2015
51. "Evaluation of the effect of the chiral centers of Taxol on binding to b-tubulin A docking and molecular dynamics simulation study"
    , Fatemehsadat Alavi, Mansoor Zahedi
    COMPUTATIONAL BIOLOGY AND CHEMISTRY, Vol. 56, pp.33-40, 2015
52. "Characterization of hydrogen bonds in the End-Functionalized Single-Wall Carbon nanotubes A DFT Study"
    , , Mansoor Zahedi
    NANO, Vol. 10, 2015
53. "COMPLEXATION OF NANOSCALE ENZYME INHIBITOR WITH CARBONIC ANHYDRASE ACTIVE CENTER A QUANTUM MECHANICAL APPROACH"
    , , Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 55, pp.393-404, 2014
54. "A computational study on the mechanism and the transition states of the cyclization of 1-trifluoromethyl-1 3-dicarbonyl compounds with azides to form 1 2 3-triazoles"
    Rahim Ghadri Karkaj, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 1043, pp.64-70, 2014
55. "Stone Wales defec tformation in the zigzag andarmchair BC2N nanotubes ADFT study"
    reza ghafoori, , Mansoor Zahedi
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS and NANOSTRUCTURES, Vol. 58, pp.94-100, 2014
56. "Chameleonic Nature of Hydroxyheme in Heme Oxygenase and Its Reactivity A Density Functional Theory Study"
    Mahin Gheydi, Naser Safari, Mansoor Zahedi
    INORGANIC CHEMISTRY, Vol. 53, pp.2766-2775, 2014
57. "Phenomenal Properties of Gold Nanoclusters with No Chemical Interaction with O2 Field Effect and Electron Pumping"
    Ali Moghaddasi, Mansoor Zahedi
    Journal of Physical Chemistry C, Vol. 117, pp.20893-20904, 2013
58. "A Theoretical Study on the Enthalpies of Homolytic and Heterolytic N-H Bond Cleavage in Substituted Melatonine in the Gas-Phase and Aqueous Solution"
    , , Erik KLEIN, Mansoor Zahedi
    ACTA CHIMICA SLOVENICA, Vol. 60, pp.43-55, 2013
59. "Fully and partially exohydrogenated Si80 fullerene cage a DFT study"
    reza ghafoori, , Mansoor Zahedi
    STRUCTURAL CHEMISTRY, Vol. 24, pp.575-581, 2013
60. "Interaction Modes and Absolute Affinities of a-Amino Acids for Mn2 A Comprehensive Picture"
    Mohammadhasan Khodabandeh, Hamidreza Raeesi Harooni, , Karim Zare, Mansoor Zahedi, gills ohanessian
    CHEMPHYSCHEM, Vol. 14, pp.1733-1745, 2013
61. "DUAL-LEVEL DIRECT DYNAMICS STUDIES ON THE HYDROGEN ABSTRACTION REACTION OF CF3CHFCF3 (HFC-227ea) WITH Cl ATOM"
    , Mansoor Zahedi
    JOURNAL OF THEORETICAL and COMPUTATIONAL CHEMISTRY, Vol. 12, pp.1-15, 2013
62. "Carbonic anhydrase inhibitors A quantum mechanical study of interaction between some antiepileptic drugs with active center of carbonic anhydrase enzyme"
    Mina Ghiasi, , , Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 992, pp.59-69, 2012
63. "Effect of Axial Ligand on the Electronic Configuration Spin States and Reactivity of Iron Oxophlorin"
    Mahin Gheydi, Naser Safari, Mansoor Zahedi
    INORGANIC CHEMISTRY, Vol. 51, pp.7094-7102, 2012
64. "Protective effect of rutin (vitamin p) against heme oxidation A quantum mechanical approach"
    Mina Ghiasi, , , Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 996, pp.28-36, 2012
65. "Investigation of origin of stereo-selectivity of BF3_Et2O-promoted allylboration of aldehydes in the presence of (R)-pinanediol by computational method"
    Rahim Ghadri Karkaj, , Ahmad Shaabani, Mansoor Zahedi
    Computational and Theoretical Chemistry, Vol. 999, pp.28-33, 2012
66. "Synthesis of a New Class of Highly Functionalized Phosphorus Ylides Containing Heterocyclic Compounds"
    Ahmad Shaabani, Sajjad Keshipour, Morteza Aghaee, Mohammadhasan Khodabandeh, Mansoor Zahedi
    CHINESE JOURNAL OF CHEMISTRY, Vol. 30, pp.1893-1900, 2012
67. "Structure and Redox Behavior of Iron Oxophlorin and Role of Electron Transfer in the Heme Degradation Process"
    Mahin Gheydi, Naser Safari, Mansoor Zahedi
    INORGANIC CHEMISTRY, Vol. 51, pp.12857-12866, 2012
68. "Density Functional Theory (B3LYP) Study of Substituent Effects on O H Bond Dissociation Enthalpies of trans-Resveratrol Derivatives and the Role of Intramolecular Hydrogen Bonds"
    Elyas Nazarparvar Noshadi, Mansoor Zahedi, Erik Klein
    JOURNAL OF ORGANIC CHEMISTRY, Vol. 22, pp.10093-10104, 2012
69. "Theoretical Study of Site Dependency on Charge Transfer at Au(111) Nanoclusters"
    Ali Moghaddasi, Mansoor Zahedi, Philip Watson
    Journal of Physical Chemistry C, Vol. 116, pp.5014-5018, 2012
70. "A theoretical elucidation of coordination properties of histidine and lysine to Mn2"
    Hamidreza Raeisi Harooni, Mohammadhasan Khodabandeh, Karim Zare, Mansoor Zahedi
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, Vol. 313, pp.47-54, 2012
71. "Comparative DFT Study To Determine if -Oxoaldehydes Precursors are for Pentosidine Formation"
    Rasool Nasiri, Martin J. Field, Mansoor Zahedi, Ali Akbar Moosavi Movahedi
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 116, pp.2986-2996, 2012
72. "DFT/B3LYP Study of the Substituent Effect on the Reaction Enthalpies of the Individual Steps of Single Electron Transfer-Proton Transfer and Sequential Proton Loss Electron Transfer Mechanisms of Chroman Derivatives Antioxidant Action"
    Meysam Najafi, kaveh haghighi mood, Mansoor Zahedi, erik klein
    Computational and Theoretical Chemistry, Vol. 969, pp.1-12, 2011
73. "DFT/B3LYP study of the solvent effect on the reaction enthalpies of homolytic and heterolytic OAH bond cleavage in mono-substituted chromans"
    Meysam Najafi, Mansoor Zahedi, Erik Klein
    Computational and Theoretical Chemistry, Vol. 978, pp.16-28, 2011
74. "Cross-Linking Mechanisms of Arginine and Lysine with -Dicarbonyl Compounds in Aqueous Solution"
    Rasool Nasiri, Martin J. Field, Mansoor Zahedi, Ali Akbar Mousavi Movahedi
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 115, pp.13542-13555, 2011
75. "A new mixed-ligand complex of copper(II) containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa) Synthesis molecular and crystal structure and properties of Cu(NPyPzCa)(NO3)(DMSO)"
    Hamidreza Khavasi, Koroush Sasan, Shahin Sowlati Hashjin, Mansoor Zahedi
    COMPTES RENDUS CHIMIE, Vol. 14, pp.563-567, 2011
76. "Kinetics and mechanism of the KMnO 4-oxidative catalysed condensation reaction of L-proline to a diketopiperazine"
    , Mansoor Zahedi, Homayoon Bahrami, Khosro Jadidi
    PROGRESS IN REACTION KINETICS AND MECHANISM, Vol. 36, pp.95-119, 2011
77. "An in silico study on the ring-size effect in ring enlargement Bellus-Claisen rearrangement"
    Rahim Ghadri Karkaj, Mansoor Zahedi, , Ahmad Shaabani
    Computational and Theoretical Chemistry, Vol. 981, pp.25-30, 2011
78. "Kinetics and mechanism of the permanganate-induced autocatalytic dehydration reaction of L-g-amino-n-butyric acid to give 2-pyrrolidone through a radical intermediate in moderately concentrated acidic medium"
    Homayoon Bahrami, Mansoor Zahedi, Moghaddas Bigdeli, ,
    PROGRESS IN REACTION KINETICS AND MECHANISM, Vol. 36, 2011
79. "dft/ b3lyp study of the substituent effect on o-h bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment"
    Meysam Najafi, Elyas Nazarparvar Noshadi, Kaveh Haghighi Mood, Mansoor Zahedi, Erik Klein
    Computational and Theoretical Chemistry, Vol. 965, pp.114-122, 2011
80. "Theoretical studies on models of lysine-arginine cross-links derived from -oxoaldehydes a new mechanism for glucosepane formation"
    Rasool Nasiri, Mansoor Zahedi, Jamet Helene, Ali Akbar Moosavi-Movahedi
    JOURNAL OF MOLECULAR MODELING, Vol. 18, pp.1645-1659, 2011
81. "DFT/B3LYP study of the substituent effects on OAH bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment"
    Elyas Nazarparvar Noshadi, Mansoor Zahedi, Meysam Najafi
    Computational and Theoretical Chemistry, Vol. 965, pp.114-122, 2011
82. "theoretical investigation of interaction of sorbitol molecules with alcohol dehydrogenase in aqueous solution using melecular dynamics simulation"
    Homayoon Bahrami, Mansoor Zahedi, , ,
    CELL BIOCHEMISTRY AND BIOPHYSICS, Vol. 59, pp.79-88, 2011
83. "theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygen"
    Naser Safari, Mahin Gheydi, Mansoor Zahedi
    JOURNAL OF MOLECULAR MODELING, pp.1401-1413, 2010
84. "A new chromium (III) complex containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa) Synthesis molecular and crystal structure and theoretical electron density analysis"
    Hamidreza Khavasi, Rohoullah Firouzi, koroush sasan, Mansoor Zahedi
    SOLID STATE SCIENCES, Vol. 12, pp.1960-1965, 2010
85. "Theorical investigation if interaction of sorbital molecules with alcohol dehydrogenase in aqueus solution using molecular dynamics simulation"
    Homayoon Bahrami, Mansoor Zahedi, , ,
    CELL BIOCHEMISTRY AND BIOPHYSICS, Vol. 59, pp.79-88, 2010
86. "a theoretical elucidation of glucose interaction with hsas domains"
    Rasool Nasiri, Mansoor Zahedi, Homayoon Bahrami, Ali Akbar Moosavi Movahedi ,
    JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS, Vol. 28, pp.211-226, 2010
87. "effect of the axial ligands on the structure and reactivity of tin verdoheme in the ring opening process"
    , Homayoon Bahrami, Mansoor Zahedi, Naser Safari
    INORGANICA CHIMICA ACTA, Vol. 363, pp.1577-1586, 2010
88. "compelexation of glycine by manganese (II) in the gas phase a theoretical study"
    Mohammadhassan Khodabandeh, , Mansoor Zahedi,
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, Vol. 291, pp.73-83, 2010
89. "a new chromium (iii)complex containing n-(2 pyridylmethyl)-2- pyrazinecarboxamide (npypzca) synthesis molecular and crystal structur and theoretical electron density analysis"
    Hamidreza Khavasi, Rohollah Firoozi Asl, Koroosh Sasan, Mansoor Zahedi
    SOLID STATE SCIENCES, Vol. 12, pp.1960-1965, 2010
90. "teoretical investigations on the hydrolysis pathway of tin verdoheme complexes elucidation of tin s ring opening inhibition role"
    , Homayoon Bahrami, Mansoor Zahedi, Naser Safari
    JOURNAL OF MOLECULAR MODELING, Vol. 15, pp.1299-1315, 2009
91. "quantum chemical investigation of intramolecular thione -thiol tautomerism of 1 2 4-triazole -3- thione and its disubstituted derivatives"
    , Homayoon Bahrami, Zahra Zolmajd Haghighi, Mansoor Zahedi
    JOURNAL OF MOLECULAR MODELING, 2009
92. "liner egression analysis of molecular energy properties for poly heterocyclic compounds"
    Rohollah Firoozi Asl, Mansoor Zahedi
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 906, pp.35-40, 2009
93. "KINETICS AND MECHANISM OF THE PERMANGANATE - INDUCED OXIDATIVE CATALYTIC CONDENSATION OF SARCOSINE TO A DIKETOPIPERAZINE"
    Zahra Khati Dizabadi, Mahdi Davari Dolatabadi, Homayoon Bahrami, Mansoor Zahedi
    PROGRESS IN REACTION KINETICS AND MECHANISM, Vol. 34, pp.453-478, 2009
94. "how tin metal prevens verdoheme ring opening comparative study of various nucleophiles"
    , Homayoon Bahrami, Mansoor Zahedi, Naser Safari
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 908, pp.1-11, 2009
95. "Ab initio studies of BN-acenes and cyclo BN-acenes electronic properties and their dependence on the molecular size and the number of electrons"
    Rohollah Firoozi Asl, Shahin Sowlati Hashjin, Mansoor Zahedi
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp.1-7, 2009
96. "kinetics and mechanism of the dehydation reaction of sarcosine to a bislactame through diacyclperoxide intermediate in strong acidic medium"
    Homayoon Bahrami, , Maryam Keshavarzi, Mansoor Zahedi, Ayoob Bazgir,
    INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, pp.690-703, 2009
97. "Linear regression analysis of molevular energy properties for poly heterocyclic compounds"
    Rohollah Firoozi Asl, Mansoor Zahedi
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp.35-40, 2009
98. "conclusive evidence for delayed autocatalytic beavior of Mn(II) ions at a critical concentration"
    Homayoon Bahrami, Mansoor Zahedi
    Journal of the Iranian Chemical Society JICS, Vol. 5, pp.535-545, 2008
99. "theoretical study on the kinetics and mechanism of the reaction of cyclohexyl isocyanide and 1 1 1 5 5 5-hexafluropentane-2 4-dione using dft method"
    Ahmad Shaabani, , , Mansoor Zahedi, Homayoon Bahrami
    JOURNAL OF THEORETICAL and COMPUTATIONAL CHEMISTRY, Vol. 7, pp.1227-1250, 2008
100. "Noninnocent effect of axial ligand on the heme degradation process a theoretical approach to hydrolysis pathway of verdoheme to biliverdin"
     Parisa Rajabali Jamaat, Naser Safari, , , Mansoor Zahedi
     JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, Vol. 13, pp.121-132, 2008
101. "Conclusive evidence on the insensitivity of additive rules to the combinational details of exchange and correlation functional in hybrid DFT methods"
     Rohollah Firoozi Asl, Mansoor Zahedi
     INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 108, pp.1-11, 2008
102. "Polyacenes electronic properties and their dependence on molecular size"
     Rohollah Firoozi Asl, Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp.7-15, 2008
103. "Introduction of a novel additivity scheme coincidence with homodesmicity concept for (CH)xNy (x y 6) colecules"
     Rohollah Firoozi Asl, Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp.1-7, 2008
104. "A Theoretical Elucidation of Bilirubin Interaction With HSA s Lysines First Electrostatic binding Site in IIA Subdomain"
     Homayoon Bahrami, Mansoor Zahedi, , , ,
     BIOPHYSICAL CHEMISTRY, Vol. 125, pp.357-387, 2007
105. "An ab initio quantum chemical comparative study of possible additive rules and linear relations in parent and extended sulfur diimide families"
     Shant Shahbazian, , Mansoor Zahedi
     THEORETICAL CHEMISTRY ACCOUNTS, Vol. 117, pp.153-161, 2007
106. "Theoretical investigations of the hydrolysis pathway of verdoheme to biliverdin"
     , Naser Safari, , Mansoor Zahedi
     JOURNAL OF INORGANIC BIOCHEMISTRY, Vol. 101, pp.385-395, 2007
107. "Theoretical Investigations of the Reactivity of Verdoheme Analogues Opening of the Planar Macrocycle by Amide Dimethyl Amide and Hydroxide Nucleophiles to Form Helical Biliverdin Type Complexes"
     Homayoon Bahrami, Mansoor Zahedi, Naser Safari
     JOURNAL OF INORGANIC BIOCHEMISTRY, Vol. 100, pp.1449-1461, 2006
108. "the role of observables and non-observables in chemistry a critique of chemical language"
     , Mansoor Zahedi
     Foundations of Chemistry, Vol. 8, pp.37-52, 2006
109. "Calorimetric and binding dissections of HSA upon interaction with bilirubin"
     , , Mansoor Zahedi, , , , Homayoon Bahrami, ,
     PROTEIN JOURNAL, Vol. 25, pp.193-201, 2006
110. "Delayed Autocatalytic Behavior of Mn(II) Ions at a Critical Ratio The Effect of Structural Isomerism on Permanganic Oxidation of L-norleucine"
     Mansoor Zahedi, Homayoon Bahrami
     INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Vol. 38, pp.1-11, 2006
111. "The concept of Chemical bond Some like it fuzzy but others concrete"
     Mansoor Zahedi
     Foundations of Chemistry, 2006
112. "modeling of biliverdin reduction process regio-specificity and H-bonding"
     Mansoor Zahedi, , Naser Safari
     CHEMICAL PHYSICS, Vol. 310, pp.179-187, 2005
113. "towards a complete basis set limit of hartree_fock method correlation-consistent versus polarized-consistent basis sets"
     , Mansoor Zahedi
     THEORETICAL CHEMISTRY ACCOUNTS, Vol. 113, pp.152-160, 2005
114. "autoacceleration/degradation of electrochemical polymerization of substitted anilines"
     , Mansoor Zahedi, , , ,
     POLYMER, Vol. 46, pp.11476-11483, 2005
115. "Toward complete basis set limit of Hartree-Fock method Correlation consistent versus polarized consistent basis sets"
     Mansoor Zahedi
     THEORETICAL CHEMISTRY ACCOUNTS, Vol. 113, 2005
116. "Prediction of Novel Complexation of porphine and BF3 Is it a 1 1 or 1 2 species"
     Mansoor Zahedi
     CHEMICAL PHYSICS, Vol. 301, pp.1-7, 2004
117. "A Theoretical Investigation of Electronic Ground State of Parent Sulfur Diimide (PSD)"
     Shant Shahbazian, Mansoor Zahedi, Ng SW
     JOURNAL OF MOLECULAR SPECTROSCOPY, Vol. 223, 2004
118. "Kinetics and Mechanism of the Autocatalytic Oxidation of L-Asparagine in Moderately Concentrated Sulfuric Acid Medium"
     Mansoor Zahedi
     KINETICS AND CATALYSIS, Vol. 45, 2004
119. "Kinetics and Mechanism of the Oxidation of L- -Amino-n-Butyric Acid in Moderately Concentrated Sulfuric Acid Medium"
     Mansoor Zahedi
     CANADIAN JOURNAL OF CHEMISTRY, Vol. 82, 2004
120. "Prediction of novel complexation of porphine and BF3 Is it 1 1 or 1 2 species"
     Mansoor Zahedi, Hamidreza Khavasi, , Naser Safari,
     CHEMICAL PHYSICS, Vol. 301, 2004
121. "An Ab initio Quantum Chemical Study of Cumulative Double Bonds Stability of Various Conformers and Charge Distribution Analysis PART I. XY2H2 Hierarchy (X O S Se and Y N P As)"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 683, 2004
122. "Unique 1 2 adduct formations of meso-tetra-arylporphyrins and -alkylporphyrins with BF3 a spectroscopic and ab initio study"
     Mansoor Zahedi
     NEW JOURNAL OF CHEMISTRY, Vol. 28, 2004
123. "Unique1 2 adduct formation of meso-tetraarylporphyrins and meso -tetraalkylporphyrins with BF3 a spectroscopic and ab initio study"
     , Mansoor Zahedi, , , Naser Safari, Hamidreza Khavasi,
     NEW JOURNAL OF CHEMISTRY, Vol. 28, pp.1600-1607, 2004
124. "An Ab initio Investigation of Sulfur Diimides Stability of Various Conformers and Conformational Analysis. PART III. The effect of moieties (X) on the SN2H(X) hierarchy"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 673, 2004
125. "An Ab initio Investigation of Sulfur Diimides Stability of Various Conformers and Conformational Analysis. PART II. Dimethyl Sulfur Diimides (DMSD)"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 636, 2003
126. "An Ab initio/Hybrid (ONIOM) Investigation of Biliverdin Isomers and Metal-Biliverdin Analogue Complexes"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 633, 2003
127. "An ab initio/hybrid (ONIOM) investigation of biliverdin isomers and metal biliverdin analogue complexes"
     Naser Safari, Mansoor Zahedi, Homayoon Bahrami, Shant Shahbazian, Seik Weng Ng
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 633, 2003
128. "An Ab initio Investigation of Sulfur Diimides Stability of Various Conformers and Conformational Analysis. PART I. Parent Sulfur Diimide"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 629, 2003
129. "Stability Factors Among Fullerene C60 Complete Set Isomers"
     Mansoor Zahedi
     indain j.chem, Vol. 41B, 2002
130. "Theoretical Studies of Biliverdin Energetics of the Reduction Pathways to Bilirubin"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR MODELING, Vol. 8, 2002
131. "Semiempirical molecular orbital calculations of configurational properties of dihalogenated sulfur diimides"
     Mansoor Zahedi, Ahmad Shaabani, Mohammad Reza Shariat Zadeh
     INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, Vol. 40b, 2001
132. "Semiempirical Molecular Orbital Calculations of Biliverdin Study the Dynamics and Energetics of the Self-association of a Two-Electron Oxidation Product"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 531, 2000
133. "Semiempirical Molecular Orbital Calculation of Azobenzene Stability Study of Isomers and Mechanism of E/Z Isomerization"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 506, 2000
134. "Semiemperical molecular orbital calculations of biliverdin Study of dynamics and energetics of the self-associaton of a two-electron oxidation product"
     Naser Safari, Mansoor Zahedi, S Haddadpour
     Theoretical Chemistry, Vol. 531, pp.79-79, 2000
135. "SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATION OF AZOBENZENE STABILITY STADY OF ISOMERS AND MECHANISM OF E/Z ISOMERIZTION"
     Ahmad Shaabani, Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 506, 2000
136. "Resonance Stabilization Study of Some Fullerenes Cn (20 n 88) Is n 32 a Magic Number"
     Mansoor Zahedi
     JOURNAL OF CHEMICAL RESEARCH-S, 1999
137. "SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS OF BILIVERDINE TABILITY STUDY OF VARIOUS ISOMERS AND CONFORMATION ANALYSIS"
     Mansoor Zahedi, Ahmad Shaabani, Naser Safari
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 425, 1998
138. "Semiempirical Molecular Orbital Calculations of Biliverdin Stability study of Various Isomers and Conformation Analysis"
     Mansoor Zahedi
     JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol. 452, 1998
139. "Non-adiabatic Interactions in Excited C2H Molecules and Their Relationship to C2 Formation in Comets"
     Mansoor Zahedi
     ASTROPHYSICS AND SPACE SCIENCE, Vol. 236, 1996
140. "Dissociation Dynamics in the Photolysis of C2H2 and C2H at 193.3 nm"
     Mansoor Zahedi
     A Chemical Festschrift MIT Press Cambridge Mass, 1994
141. "266nm CH3I Photodissociation CH3 Spectra and Population Distributions by Coherent Raman Spectroscopy"
     Mansoor Zahedi
     j.chem.phys, Vol. 6, 1994
142. "Use of Seeded Nd YAG Lasers for High Resolution Spectroscopy"
     Mansoor Zahedi
     OPTICS LETTERS, 1993
143. "High Resolution Study of The v1 Vibration of CH3 by Coherent Raman Photofragment Spectroscopy"
     Mansoor Zahedi
     j.chem.phys, Vol. 96, 1992
144. "Rate Constant for CN Reactions with Hydrocarbons and the Product HCN Vibrational Populations Examples of Heavy-Light-Heavy Abstraction Reaction"
     Mansoor Zahedi
     j.chem.phys, Vol. 96, 1992
145. "Theoritical Study of the Catalytic and Inhibition Mechanism of the -lactam Antibiotics by Metallo- -lactamases in the Different Solvents and Different Temperatures Using Quantum Mechanical Calculations"
     , Bahare Noohi, Mansoor Zahedi
     Vol. 14, pp.239-258, 2015

Conference Paper

1. "Theoritical investigations of the hydrolysis pathway of verdoheme to biliverdin effect of axial ligand"
   Naser Safari, Parisa Rajabali Jamaat, Mansoor Zahedi
   13th international conference on biological inorganic chemistry, pp.220-220, 2007
2. "Theoretical Study on the role of axial ligand in the Hydrolysis Pathway of Verdoheme to Biliverdine"
   Parisa Rajabali Jamaat, Naser Safari, Mansoor Zahedi
   9th Iranian Inorganic Chemistry Conference, pp.160-160, 2007
3. "SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATION OF AZOBENZENE STABILITY STADY OF ISOMERS AND MECHANISM OF E/Z ISOMERIZTION"
   Ahmad Shaabani, Mansoor Zahedi
   The 5th World Congress of Theoretically Oriented Chemists, 1999
4. "SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATION OF BILIVERDINE STABILITY STADY OF VARIOUS ISOMERS AND CONFORMATIONAL ANALYSIS"
   Ahmad Shaabani, Mansoor Zahedi, Naser Safari
   The 5th World Congress of Theoretically Oriented Chemists, 1999