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تعداد موارد: ۲۸۳
مشاهده مقاله

Mechanistic Insights into Enhanced CO2 Conversion to Fuels and Chemicals with O‐Doped g‐C3N4

Elnaz Ranjbakhsh ، Mohammad Izadyar ، Ali Nakhaei Pour ، Aziz Habibi-Yangjeh

ChemistrySelect

مجلات خارجی 2024 October Volume (9) No (38)
مشاهده مقاله

Theoretical insights into the electronic and optical properties of lithium-based perovskite for solar cell applications

Faezeh Pakravesh ، Mohammad Izadyar

Journal of Photochemistry and Photobiology A: Chemistry

مجلات خارجی 2024 August Volume (453) No (1) Pages (115602-115602)
مشاهده مقاله

Conformational Folding Activates Photoinduced Electron Transfer

Shiqing Huang ، Syed Ali Abbas Abedi ، Zhifeng Li ، Rongrong Huang ، Xiaoyu Yan ، Mohammad Izadyar ، Qinglong Qiao ، Yu Fang ، Zhaochao Xu ، Xiaogang Liu

CCS Chemistry

مجلات خارجی 2024 August
مشاهده مقاله

Li‐decorated black phosphorene: A promising platform for gas molecule adsorption

Atefe Ebrahimi Moghaddam ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2024 June Volume (124) No (13)
مشاهده مقاله

Recent progress toward high-performance dye-sensitized solar cells: a review

Foroogh Arkan ، Faezeh Pakravesh ، Fatemeh Barati Darband ، Samira Sabagh ، Mohammad Izadyar

Journal of the Iranian Chemical Society

مجلات خارجی 2024 February Volume (21) No (3) Pages (577-638)
مشاهده مقاله

Computational design of high affinity MIP-based biosensors for selective recognition of renal failure biomarkers: a DFT study and topological analysis

Elham Rajaee ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Polymer Research

مجلات خارجی 2023 November Volume (30) No (12)
مشاهده مقاله

Molecular engineering of inorganic halide perovskites and HTMs for photovoltaic applications

Faezeh Pakravesh ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2023 September Volume (124) No (1)
مشاهده مقاله

Theoretical design of Au–DPPh–Au molecular junction for use in organic field-effect transistors

Samira Naserian Maghani ، Mohammad Izadyar ، Elnaz Ranjbakhsh

Journal of Physics and Chemistry of Solids

مجلات خارجی 2023 September Volume (180) Pages (111440-11440)
مشاهده مقاله

Understanding the effects of building block rings of π electron-rich organic photocatalysts in CO2 transformation to amino acids

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar ، Nazanin Noroozi Shad ، Foroogh Arkan

Journal of Molecular Graphics and Modelling

مجلات خارجی 2023 April Volume (122) Pages (108492-)
مشاهده مقاله

Theoretical design of a new hydrogen storage based on the decorated phosphorene nanosheet by alkali metals

Atefe Ebrahimi Moghaddam ، Mohammad Izadyar ، Mohammad Khavani

Journal of Physics and Chemistry of Solids

مجلات خارجی 2023 March Volume (178) Pages (111354-)
مشاهده مقاله

New phosphonium bromobismuthate as selective catalytic reagent in the heterocyclization reactions

Reihaneh Salmasi ، Mostafa Gholizadeh ، Alireza Salimi ، Mohammad Izadyar ، Seyed Reza Nokhbeh

Applied Organometallic Chemistry

مجلات خارجی 2023 February Volume (37) No (4)
مشاهده مقاله

Theoretical design of molecularly imprinted polypyrrole biosensor for the detection of renal failure biomarkers

Elham Rajaee ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Molecular Systems Design and Engineering

مجلات خارجی 2023 January Volume (8) No (9) Pages (1182-1194)
مشاهده مقاله

Theoretical evaluation of charge transport properties and mobility of tetraphenyldipyranylidene derivatives in organic field-effect transistors

Samira Naserian Maghani ، Mohammad Izadyar ، Elnaz Ranjbakhsh

Journal of Photochemistry and Photobiology A: Chemistry

مجلات خارجی 2022 September Volume (435) Pages (114283-)
مشاهده مقاله

Solvent effect on the efficiency of triphenylamine-based dye-sensitized solar cells, molecular approach

Faezeh Pakravesh ، Mohammad Izadyar

Chemical Physics

مجلات خارجی 2022 September Volume (561) No (1) Pages (111594-111594)
مشاهده مقاله

Quantum chemistry study on the anthropomorphic molecules: characterization, photovoltaic properties, and application

Foroogh Arkan ، Mohammad Izadyar

Journal of the Iranian Chemical Society

مجلات خارجی 2022 August Volume (20) No (1) Pages (47-55)
مشاهده مقاله

Substitution effect on electronic and optical properties of Tetraphenyldipyranylidene; A theoretical study

Samira Naserian Maghani ، Mohammad Izadyar ، Elnaz Ranjbakhsh

Journal of Physics and Chemistry of Solids

مجلات خارجی 2022 March Volume (162) No (1) Pages (110504-110504)
مشاهده مقاله

Thermal decomposition of amino acid ionic liquids: Mechanism insight

Mojtaba Rezaeian ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2022 March Volume (349) No (1) Pages (118486-118486)
مشاهده مقاله

Quantum chemistry calculations of S, P, and O-doping effect on the photocatalytic molecular descriptors of g-C3N4 quantum dots

Elnaz Ranjbakhsh ، Mohammad Izadyar ، Ali Nakhaei Pour ، Aziz Habibi Yangjeh

Journal of the Iranian Chemical Society

مجلات خارجی 2022 March Volume (19) No (8) Pages (3513-3528)
مشاهده مقاله

Improvement the energy conversion efficiency of organic dye-based solar cells by pioneer solvents

Faeze Pakravesh ، Mohammad Izadyar ، Foroogh Arkan

Molecular Physics

مجلات خارجی 2022 January Volume (120) No (7)
مشاهده مقاله

First-principles study of the binding affinity of monolayer BC6N nanosheet: Implications for drug delivery

Sadegh Kaviani ، Mohammad Izadyar

Materials Chemistry and Physics

مجلات خارجی 2022 January Volume (276) No (1) Pages (125375-125375)
مشاهده مقاله

A molecular dynamic study on the ability of phosphorene for designing new sensor for SARS-CoV-2 detection

Aliyeh Mehranfar ، Mohammad Khavani ، Mohammad Izadyar

Journal of Molecular Liquids

مجلات خارجی 2022 January Volume (345) Pages (117852-117860)
مشاهده مقاله

ZIF-8 metal-organic framework conjugated to pristine and doped B12N12 nanoclusters as a new hybrid nanomaterial for detection of amphetamine

Sadegh Kaviani ، Mohammad Izadyar

Inorganic Chemistry Communications

مجلات خارجی 2022 January Volume (135) No (1) Pages (109119-109119)
مشاهده مقاله

A theoretical approach on the ability of functionalized gold nanoparticles for detection of Cd2+

Mohammad Khavani ، ، Mohammad Izadyar

Scientific Reports

مجلات خارجی 2021 December Volume (11) No (1)
مشاهده مقاله

Theoretical prediction of voltage-current behavior and other photovoltaic properties of natural flavonoid-based solar cells

Foroogh Arkan ، Mohammad Izadyar

Solar Energy

مجلات خارجی 2021 November Volume (228) No (1) Pages (89-99)
مشاهده مقاله

QM/MD study on the ability of phosphorene for selective detection of amino acids

Mohammad Khavani ، Mohammad Izadyar ، Sajad Samadian

Journal of Molecular Liquids

مجلات خارجی 2021 August Volume (336) Pages (116865-116865)
مشاهده مقاله

Substituent effects and mechanism studies in CO2 transformation to benzoxazinone derivatives as worthwhile N‐containing heterocycles: Insight from Density functional theory

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2021 July Volume (121) No (21)
مشاهده مقاله

Effect of electron donor and acceptor on the photovoltaic properties of organic dyes for efficient dye-sensitized solar cells

Faeze Pakravesh ، Mohammad Izadyar ، Foroogh Arkan

Physica B: Condensed Matter

مجلات خارجی 2021 May Volume (609) No (1) Pages (412815-42815)
مشاهده مقاله

Insight into the semiconducting performance of tetraphenyldipyranylidene derivatives in organic field‐effect transistors

Samira Naserian Maghani ، Mohammad Izadyar ، Foroogh Arkan

International Journal of Quantum Chemistry

مجلات خارجی 2021 April Volume (121) No (16)
مشاهده مقاله

The effect of the central metal ion on photovoltaic properties of bacteriochlorin derivatives

Samira Peymani ، Mohammad Izadyar ، Foroogh Arkan

Materials Today Communications

مجلات خارجی 2021 April Volume (27) Pages (102367-102390)
مشاهده مقاله

Complexation of Modified Deferasirox with Iron Cation in Three-multiplicities: A Theoretical Study on the [SPION-APTMS-DFX-Fe] Nanostructure

Seyed Mojtaba Mashmoul Moghadam ، Amir SHokooh Saljooghi ، Mohammad Izadyar

Physical Chemistry Research

مجلات خارجی 2021 March Volume (9) No (1) Pages (31-42)
مشاهده مقاله

Molecular engineering of triphenylamine-based metal-free organic dyes for dye-sensitized solar cells

Faeze Pakravesh ، Mohammad Izadyar ، Foroogh Arkan

International Journal of Quantum Chemistry

مجلات خارجی 2021 March Volume (2021) No (1) Pages (1-20)
مشاهده مقاله

Recent advances in computational methods for biosensor design

Seyyedeh Zahra Khoshbin ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، Mohammad Reza Bozorgmehr ، Asma Verdian

Biotechnology and Bioengineering

مجلات خارجی 2021 February Volume (118) No (2) Pages (555-578)
مشاهده مقاله

The effects of amino acid sequence and solvent polarity on the self-assembling of cyclic peptide nanotubes and molecular channel formation inside the lipid bilayer

Mojtaba Rezaeian ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2020 November Volume (314) Pages (113660-114880)
مشاهده مقاله

Photovoltaic and spectroscopic properties of bacteriochlorin-based photosensitizer: molecular approach

Samira Peymani ، Mohammad Izadyar ، Foroogh Arkan

Research on Chemical Intermediates

مجلات خارجی 2020 November Volume (47) No (3) Pages (1071-1085)
مشاهده مقاله

Theoretical Design of Functionalized Gold Nanoparticles as Antiviral Agents against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)

Aliyeh Mehranfar ، Mohammad Izadyar

Journal of Physical Chemistry Letters

مجلات خارجی 2020 November Volume (11) No (24) Pages (10284-10289)
مشاهده مقاله

A combined molecular dynamics and quantum mechanics study on the interaction of Fe3+ and human serum albumin relevant to iron overload disease

Sadegh Kaviani ، Mohammad Izadyar ، Mohammad Khavani Sariani ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2020 November Volume (317) No (1) Pages (113933-113933)
مشاهده مقاله

Two polyoxometalate-based hybrids constructed from trinuclear lanthanoid clusters with single‐molecule magnet behavior

Zakiyyeh Khoshkhan ، Masoud Mirzaei Shahrabi ، Hossein Eshtiagh Hosseini ، Mohammad Izadyar ، Joel T. Mague ، Maria Korabik

Polyhedron

مجلات خارجی 2020 November Volume (193) No (1) Pages (114903-114903)
مشاهده مقاله

Theoretical designing and understanding of the performances of BH bridged organocatalysts by π‐conjugated molecules in CO2 hydroboration

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi

International Journal of Quantum Chemistry

مجلات خارجی 2020 October Volume (121) No (5)
مشاهده مقاله

Fischer–Tropsch synthesis over a novel cobalt catalyst supported on UiO-66

NEGIN DAVOODIAN ، Ali Nakhaei Pour ، Mohammad Izadyar ، Ali Mohammadi ، Mehdi Vahidi

Journal of the Iranian Chemical Society

مجلات خارجی 2020 October Volume (18) No (5) Pages (1043-1050)
مشاهده مقاله

Insight into incident photon to current conversion efficiency in chlorophylls

Samira Sabagh ، Mohammad Izadyar ، Foroogh Arkan

International Journal of Quantum Chemistry

مجلات خارجی 2020 September Volume (121) No (5)
مشاهده مقاله

The effects of amino acid sequence and solvent polarity on the self-assembling of cyclic peptide nanotubes and molecular channel formation inside the lipid bilayer

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2020 September Volume (314) No (1) Pages (113660-113660)
مشاهده مقاله

Molecular electrostatic potential at nuclear position as a new concept in evaluation of the substitution effects of intramolecular B/N frustrated Lewis pairs in H2 splitting and CO2 reduction

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi

International Journal of Quantum Chemistry

مجلات خارجی 2020 August Volume (120) No (24)
مشاهده مقاله

P‐doped g‐C3N4 as an efficient photocatalyst for CO2 conversion into value‐added materials: a joint experimental and theoretical study

Elnaz Ranjbakhsh ، Mohammad Izadyar ، Ali Nakhaei Pour ، Aziz Habibi Yangjeh

International Journal of Quantum Chemistry

مجلات خارجی 2020 July Volume (120) No (23)
مشاهده مقاله

Fischer–Tropsch synthesis using zeolitic imidazolate framework (ZIF‐7 and ZIF‐8)‐supported cobalt catalysts

NEGIN DAVOODIAN ، Ali Nakhaei Pour ، Mohammad Izadyar ، Ali Mohammadi ، Alireza Salimi ، Seyed Mehdi Kamali Shahri

Applied Organometallic Chemistry

مجلات خارجی 2020 June Volume (34) No (9)
مشاهده مقاله

A DFT study on the metal ion selectivity of deferiprone complexes

Sadegh Kaviani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Computational Biology and Chemistry

مجلات خارجی 2020 June Volume (86) No (1) Pages (107267-107273)
مشاهده مقاله

The reactivity enhancement in Diels–Alder cycloaddition of 1,3-diene by cation encapsulation to C60: a computational insight

Javad Karimi ، Mohammad Izadyar ، Ali Nakhaei Pour

Structural Chemistry

مجلات خارجی 2020 May Volume (31) No (5) Pages (1821-1829)
مشاهده مقاله

Temperature and molecular crowding effects on the sensitivity of T30695 aptamer toward Pb2+ion: a joint molecular dynamics simulation and experimental study

Seyyedeh Zahra Khoshbin ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، Mohammad Reza Bozorgmehr ، Asma Verdian

Molecular Simulation

مجلات خارجی 2020 April Volume (46) No (8) Pages (592-603)
مشاهده مقاله

Computational modeling of the kinetics and mechanism of the new generation of glutathione peroxidase nanomimic: selenosubtilisin and tellurosubtilisin

Ramesh Kheirabadi ، Mohammad Izadyar

Journal of the Iranian Chemical Society

مجلات خارجی 2020 March Volume (17) No (8) Pages (2119-2131)
مشاهده مقاله

Binay, Mathilde

Foroogh Arkan ، Mohammad Izadyar

Optik

مجلات خارجی 2020 February
مشاهده مقاله

Computational modeling of the kinetics and mechanism of tellurium‐based glutathione peroxidase mimic

Ramesh Kheirabadi ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2020 February Volume (120) No (12)
مشاهده مقاله

Theoretical study on the absorption of carbon dioxide by DBU-based ionic liquids

Mohammad Izadyar ، Mojtaba Rezaeian ، Alexey Victorov

Physical Chemistry Chemical Physics

مجلات خارجی 2020 January Volume (22) No (35) Pages (20050-20060)
مشاهده مقاله

Evaluation and understanding the performances of various derivatives of carbonyl-stabilized phosphonium ylides in CO2 transformation to cyclic carbonates

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi ، Nazanin Noroozi Shad

Physical Chemistry Chemical Physics

مجلات خارجی 2020 January Volume (22) No (1) Pages (223-237)
مشاهده مقاله

Photovoltaic properties of the flavonoid‐based photosensitizers: Molecular‐scale perspective on the natural dye solar cells

Samira Sabagh ، Mohammad Izadyar ، Foroogh Arkan

International Journal of Quantum Chemistry

مجلات خارجی 2020 January Volume (120) No (10)
مشاهده مقاله

Thermal decomposition mechanisms of some amino acid ionic liquids: Molecular approach

Mojtaba Rezaeian ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2020 January Volume (302) Pages (112505-112511)
مشاهده مقاله

Theoretical study on alkaloid encapsulating via cyclopentano‐cucurbit[n]uril (n = 8, 10)/graphene oxide heterojunction

Aliyeh Mehranfar ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2019 December Volume (120) No (9)
مشاهده مقاله

Ortho-phenylenediamine Based Bis-ureas as the Ion Selective Sensors; A QM/MD Study

Mohammad Khavani Sariani ، Mohammad Izadyar

Physical Chemistry Research

مجلات خارجی 2019 December Volume (7) No (4) Pages (785-797)
مشاهده مقاله

Theoretical design and experimental study on the gold nanoparticles based colorimetric aptasensors for detection of neomycin B

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Sensors and Actuators B: Chemical

مجلات خارجی 2019 December Volume (300) No (126947) Pages (126947-126955)
مشاهده مقاله

Advances in molecular engineering of organic-inorganic/inorganic halide perovskites: Photochemical properties behind the energy conversion ability

Foroogh Arkan ، Mohammad Izadyar

Solar Energy

مجلات خارجی 2019 December Volume (194) No (1) Pages (51-60)
مشاهده مقاله

A molecular approach on the ability of functionalized gold nanoparticles for selective sensing of Hg2+

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2019 October Volume (292) No (292) Pages (111461-111469)
مشاهده مقاله

Structural modification as the pioneer strategy in competition of the porphyrin dye and perovskite solar cells: From dynamics to kinetics of the photovoltaic processes

Foroogh Arkan ، Mohammad Izadyar

Applied Physics Letters

مجلات خارجی 2019 October Volume (115) No (18) Pages (183903-183908)
مشاهده مقاله

The investigation of the G-quadruplex aptamer selectivity to Pb2+ion: a joint molecular dynamics simulation and density functional theory study

Seyyedeh Zahra Khoshbin ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، Mohammad Reza Bozorgmehr ، Asma Verdian

Journal of Biomolecular Structure and Dynamics

مجلات خارجی 2019 September Volume (38) No (12) Pages (3659-3675)
مشاهده مقاله

Hydrogen Adsorption by G-C3N4 and Graphene Oxide Nanosheets

Siroos Rostami ، Ali Nakhaei Pour ، Mohammad Izadyar

Journal of Nanostructures

مجلات خارجی 2019 July Volume (9) No (3) Pages (498-509)
مشاهده مقاله

RNA aptasensor based on gold nanoparticles for selective detection of neomycin B, molecular approach

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of the Iranian Chemical Society

مجلات خارجی 2019 June Volume (16) No (11) Pages (2389-2400)
مشاهده مقاله

MD/QM modeling of the modified gold nanoparticles and investigation of their sensing ability for selective detection of melamine

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2019 June Volume (284) No (1) Pages (454-461)
مشاهده مقاله

Theoretical design and experimental study of new aptamers with the improved target-affinity: New insights into the Pb2+-specific aptamers as a case study

Seyyedeh Zahra Khoshbin ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، M. R. Bozorgmehr ، Asma Verdian

Journal of Molecular Liquids

مجلات خارجی 2019 June Volume (289) Pages (111159-)
مشاهده مقاله

Theoretical study on alkaloid encapsulating via monohydroxy-cucurbit[n]uril (n = 8,10)/graphene oxide composite

Aliyeh Mehranfar ، Mohammad Izadyar ، Amir Nasser Shamkhali

Journal of Molecular Liquids

مجلات خارجی 2019 June Volume (288) Pages (111085-)
مشاهده مقاله

Theoretical study on ionic liquids based on DBUH+: Molecular engineering and hydrogen bond evaluation

Mojtaba Rezaeian ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2019 May Volume (119) No (17)
مشاهده مقاله

A new electrochemical aptasensor based on MWCNT-SiO2@Au core-shell nanocomposite for ultrasensitive detection of bisphenol A

Iman Razavipanah ، Gholam Hossein Ronaghi ، Behjat Deiminiat ، Saeed Damirchi ، Khalil Abnous ، Mohammad Izadyar ، Mohammad Khavani Sariani

Microchemical Journal

مجلات خارجی 2019 May Volume (146) No (1) Pages (1054-1063)
مشاهده مقاله

Solvent Effects on Intra/Intermolecular Charge Transfer in Indoloquinoxaline-Based Dyes

Fatemeh Barati Darband ، Mohammad Izadyar ، Foroogh Arkan

Journal of Physical Chemistry A

مجلات خارجی 2019 April Volume (123) No (1) Pages (2831-2842)
مشاهده مقاله

A simple paper-based aptasensor for ultrasensitive detection of lead (II) ion

Seyyedeh Zahra Khoshbin ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، Asma Verdian ، Mohammad Reza Bozorgmehr

Analytica Chimica Acta

مجلات خارجی 2019 April Volume (1071) Pages (70-77)
مشاهده مقاله

A combined MD/QM study on the sensing mechanism of Pb 2+ by glutathione functionalized gold nanoparticles

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2019 February Volume (280) No (1) Pages (120-127)
مشاهده مقاله

The first coordination polymers with an [O]2[N]P(S)-Hg segment: a combined experimental, theoretical and database study

Elham Torabi Farkhani ، Mehrdad Pourayoubi ، Mohammad Izadyar ، Pavel V. Andreev ، Ekaterina S. Shchegravina

Dalton Transactions

مجلات خارجی 2019 January Volume (48) No (48) Pages (17908-17918)
مشاهده مقاله

Molecular Dynamics Simulation of Crocin and Dimethylcrocetin Interactions with DNA

Ebrahim Azarhazin ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Physical Chemistry Research

مجلات خارجی 2018 December Volume (4) No (6) Pages (825-838)
مشاهده مقاله

Understanding the role of noncovalent interactions on the rate of some Diels-Alder reactions in different solvents

Aliyeh Mehranfar ، Mohammad Izadyar ، Mohammad Khavani Sariani ، Mohammad Reza Housaindokht

International Journal of Quantum Chemistry

مجلات خارجی 2018 December Volume (2018) No (1) Pages (1-11)
مشاهده مقاله

Drug-DNA interaction, A joint DFT-D3/MD study on the Safranal as an anticancer and DNA nanostructure model

Ebrahim Azarhazin ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Canadian Journal of Chemistry

مجلات خارجی 2018 October Volume (1) No (1) Pages (1-11)
مشاهده مقاله

A joint MD/QM study on the possibility of alkaloids detection by cucurbiturils and graphene oxide-cucurbituril composites

Aliyeh Mehranfar ، Mohammad Izadyar ، Amir Nasser Shamkhali

Journal of Molecular Liquids

مجلات خارجی 2018 October Volume (272) No (1) Pages (963-972)
مشاهده مقاله

Modeling of the Functionalized Gold Nanoparticle Aggregation in the Presence of Dopamine: A Joint MD/QM Study

Mohammad Khavani Sariani ، Mohammad Izadyar

Journal of Physical Chemistry C

مجلات خارجی 2018 October Volume (122) No (45) Pages (26130-26141)
مشاهده مقاله

Anchoring Group and π-Spacer Effects on the Dynamics and Kinetics of the Photovoltaic Processes in the Quinoxaline-Based Organic Dye-Sensitized Solar Cells

Fatemeh Barati Darband ، Mohammad Izadyar ، Foroogh Arkan

Journal of Physical Chemistry C

مجلات خارجی 2018 October Volume (122) No (42) Pages (23968-23977)
مشاهده مقاله

Theoretical evaluation of symmetrical α,α′,δ,δ′-tetramethyl cucurbit[6]uril for haloalkane 1-(3-chlorophenyl)- 4-(3-chloropropyl)-piperazinium and chloroform encapsulation

Aliyeh Mehranfar ، Mohammad Izadyar

Journal of Inclusion Phenomena and Macrocyclic Chemistry

مجلات خارجی 2018 September Volume (92) No (1) Pages (103-114)
مشاهده مقاله

Threonine stabilizer controlled well dispersed small palladium nanoparticles onto the modified magnetic nanocatalyst for Heck cross-coupling process in water

Iraj Sarvi ، Mostafa Gholizadeh ، Mohammad Izadyar

Applied Organometallic Chemistry

مجلات خارجی 2018 September Volume (1) No (1) Pages (1-10)
مشاهده مقاله

Aptasensors as the future of antibiotics test kits-a case study of the aptamer application in the chloramphenicol detection

Seyyedeh Zahra Khoshbin ، A. Verdian ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، Zeinab Rouhbakhsh Zaeri

Biosensors and Bioelectronics

مجلات خارجی 2018 September Volume (122) Pages (263-283)
مشاهده مقاله

Carbon Dioxide Absorption by the Imidazolium−Amino Acid Ionic 2 Liquids, Kinetics, and Mechanism Approach

Mojtaba Rezaeian ، Mohammad Izadyar ، Ali Nakhaei Pour

Journal of Physical Chemistry A

مجلات خارجی 2018 July Volume (122) No (26) Pages (5721-5729)
مشاهده مقاله

Evaluation of N—H···S and N—H···π interactions in O,Oʹ-diethyl N-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies

Elham Torabi Farkhani ، Mehrdad Pourayoubi ، Mohammad Izadyar ، P. V. Andreev ، E. S. Shchegravina

Acta Crystallographica Section C: Structural Chemistry

مجلات خارجی 2018 July Volume (74) No (7) Pages (847-855)
مشاهده مقاله

Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance

Foroogh Arkan ، Mohammad Izadyar

Renewable and Sustainable Energy Reviews

مجلات خارجی 2018 July Volume (94) No (1) Pages (609-655)
مشاهده مقاله

Computational modeling of the photovoltaic activities in EABX⁠3 (EA=ethylammonium, B=Pb, Sn, Ge, X=Cl, Br, I) perovskite solar cells

Foroogh Arkan ، Mohammad Izadyar

Computational Materials Science

مجلات خارجی 2018 June Volume (152) No (1) Pages (324-330)
مشاهده مقاله

A joint QM/MD study on α-, β- and γ-cyclodextrins in selective complexation with cathinone

Mohammad Khavani Sariani ، Reza Kalantarinezhad ، Mohammad Izadyar

Supramolecular Chemistry

مجلات خارجی 2018 June Volume (30) No (8) Pages (687-696)
مشاهده مقاله

Deep eutectic solvent as an efficient molecular liquid for lignin solubilization and wood delignification

Seyed Hassan Malaekeh ، Mohammad Reza Housaindokht ، Hassan Monhemi ، Mohammad Izadyar

Journal of Molecular Liquids

مجلات خارجی 2018 June Volume (263) Pages (193-199)
مشاهده مقاله

A short review on modified carbon materials: promising materials for hydrogen storage

Siroos Rostami ، Ali Nakhaei Pour ، Mohammad Izadyar

Science Progress

مجلات خارجی 2018 May Volume (101) No (2) Pages (171-191)
مشاهده مقاله

Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model

Ramesh Kheirabadi ، Mohammad Izadyar

Computational Biology and Chemistry

مجلات خارجی 2018 May Volume (75) No (1) Pages (213-221)
مشاهده مقاله

The possibility of iron chelation therapy in the presence of different HPOs; a molecular approach to the non-covalent interactions and binding energies

Sadegh Kaviani ، Mohammad Izadyar

Journal of Molecular Structure

مجلات خارجی 2018 April Volume (1166) No (1) Pages (448-455)
مشاهده مقاله

Interactions of Deferasirox as a Chelating Agent with Al and Ga Cations: A 6 Theoretical Study on the [M(DFX)2]3- Nanostructures

Samie Salehi ، Mohammad Izadyar ، Amir SHokooh Saljooghi

Physical Chemistry Research

مجلات خارجی 2018 March Volume (6) No (1) Pages (67-82)
مشاهده مقاله

DFT investigation on the selective complexation of Fe3+ and Al3+ with hydroxypyridinones used for treatment of the aluminium and iron overload diseases

Sadegh Kaviani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Graphics and Modelling

مجلات خارجی 2018 February Volume (80) No (1) Pages (182-189)
مشاهده مقاله

Proton sponge as a new efficient catalyst for carbon dioxide transformation to methanol: Theoretical approach

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi ، Nazanin Noroozi Shad ، Mehdi Bakavoli

Fuel

مجلات خارجی 2018 February Volume (221) No (221) Pages (491-500)
مشاهده مقاله

Molecular engineering of the organometallic perovskites/HTMs in the PSCs; Photovoltaic behavior and energy conversion

Foroogh Arkan ، Mohammad Izadyar

Solar Energy Materials and Solar Cells

مجلات خارجی 2018 February Volume (180) No (1) Pages (46-58)
مشاهده مقاله

Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anticancer and DNA nanostructure model

Ebrahim Azarhazin ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Biomolecular Structure and Dynamics

مجلات خارجی 2018 January Volume (36) No (4) Pages (1063-1074)
مشاهده مقاله

Understanding the thermodynamic and kinetic performances of the substituted phosphorus ylides as a new class of compounds in carbon dioxide activation

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi ، Nazanin Noroozi Shad

Energy

مجلات خارجی 2018 January Volume (145) No (1) Pages (329-337)
مشاهده مقاله

Computational Kinetic Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic: Effect of Nucleophilicity of Thiols on the Catalytic Activity

Ramesh Kheirabadi ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Physical Chemistry A

مجلات خارجی 2017 December Volume (122) No (1) Pages (364-374)
مشاهده مقاله

Theoretical Evaluation Of The Novel Frustrated Lewis Pairs Efficiency In Cis-Hydrogenation Reaction Of Dimethyl Acetylene

Nazanin Noroozi Shad ، Mostafa Gholizadeh ، Mohammad Izadyar ، Hossein Eshghi

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2017 November Volume (42) No (4) Pages (372-383)
مشاهده مقاله

Effects of synergistic and non-synergistic anions on the iron binding site from serum transferrin: A molecular dynamic simulation analysis

Zahra Ghanbari ، Mohammad Reza Housaindokht ، ، Mohammad Izadyar

Journal of Molecular Graphics and Modelling

مجلات خارجی 2017 October Volume (78) No (2017) Pages (176-186)
مشاهده مقاله

DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Phosphorus, Sulfur, and Silicon and the Related Elements

مجلات خارجی 2017 October Volume (193) No (3) Pages (178-184)
مشاهده مقاله

Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study

Mohammad Khavani Sariani ، Mohammad Izadyar

Physical Chemistry Research

مجلات خارجی 2017 September Volume (5) No (3) Pages (425-437)
مشاهده مقاله

Phosphorus Ylides as a New Class of Compounds in CO2 Activation: Thermodynamic and Kinetic Studies

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi

Journal of CO2 Utilization

مجلات خارجی 2017 September Volume (21) No (3) Pages (459-466)
مشاهده مقاله

Theoretical evaluation of the organocatalytic behavior of the negatively charged carbon atom in a fused five-member ring in carbon dioxide transformation to methanol

Hossein Sabet-Sarvestani ، Mohammad Izadyar ، Hossein Eshghi

Energy

مجلات خارجی 2017 June Volume (134) Pages (493-503)
مشاهده مقاله

Surface decomposition of dimethyl methylphosphonate on SnO2 nanoparticles: role of nanoparticle size

، Ali Nakhaei Pour ، Mohammad Reza Housaindokht ، Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2017 June Volume (42) No (2) Pages (99-110)
مشاهده مقاله

A Computational Exploration of H2S and CO2 Capture by Ionic Liquids Based on α‑ Amino Acid Anion and N7,N9‑ Dimethyladeninium Cation

Badralsadat Seyedhosseini ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Physical Chemistry A

مجلات خارجی 2017 May Volume (121) No (22) Pages (4352-4362)
مشاهده مقاله

The investigation of the central metal effects on the porphyrin-based DSSCs performance; molecular approach

Foroogh Arkan ، Mohammad Izadyar

Materials Chemistry and Physics

مجلات خارجی 2017 May Volume (196) No (1) Pages (142-152)
مشاهده مقاله

Theoretical evaluation of N-alkylcarbazoles potential in hydrogen release

Aliyeh Mehranfar ، Mohammad Izadyar

International Journal of Hydrogen Energy

مجلات خارجی 2017 April Volume (42) No (15) Pages (9966-9977)
مشاهده مقاله

Improvement in charge transfer dynamic of the porphyrin-based solar cells in water: A theoretical study

Foroogh Arkan ، Mohammad Izadyar ، Ali Nakhaei Pour

Journal of Renewable and Sustainable Energy

مجلات خارجی 2017 March Volume (9) No (1) Pages (235021-2350217)
مشاهده مقاله

Highly Dispersed Palladium Nanoparticle-Loaded Magnetic Catalyst (FeS@EP–AG–Pd) for Suzuki Reaction in Water

Iraj Sarvi ، Mostafa Gholizadeh ، Mohammad Izadyar

Catalysis Letters

مجلات خارجی 2017 March Volume (147) No (5) Pages (1162-2018)
مشاهده مقاله

The role of solvent and structure in the kinetics of the excitons in porphyrin-based hybrid solar cells

Foroogh Arkan ، Mohammad Izadyar

Solar Energy

مجلات خارجی 2017 March Volume (146) No (1) Pages (368-378)
مشاهده مقاله

The Molecular Adsorption of Carbon Monoxide on Cobalt Surfaces: A Dft Study

Fatemeh Borji ، Ali Nakhaei Pour ، ، Mohammad Izadyar ، ،

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2017 February Volume (42) No (1) Pages (89-98)
مشاهده مقاله

DFT Investigation of the Kinetics and Mechanism of the Thermal Decomposition of Oxalic Acid

Mohammad Khavani Sariani ، Mohammad Izadyar ، Azam Jamsaz

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2017 February Volume (42) No (1) Pages (44-51)
مشاهده مقاله

A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+)

Sadegh Kaviani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Computational Biology and Chemistry

مجلات خارجی 2017 January Volume (67) No (1) Pages (114-121)
مشاهده مقاله

Understanding the mechanism, thermodynamic and kinetic features of Kukhtin-Ramirez reaction in carbamate synthesis from carbon dioxide

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar

RSC Advances

مجلات خارجی 2017 January Volume (7) No (1) Pages (1701-1710)
مشاهده مقاله

Direct C2-arylation of Quinoline N-Oxides by Boronic Esters; A Molecular Approach on the Efficient Metal-free Method in C-C Cross-coupling Reactions

Nazanin Noroozi Shad ، Mostafa Gholizadeh ، Mohammad Izadyar

Research on Chemical Intermediates

مجلات خارجی 2017 January Volume (44) No (1) Pages (657-673)
مشاهده مقاله

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

Mohammad Izadyar ، Mohammad Khavani Sariani ، Mohammad Reza Housaindokht

Journal of Physical Chemistry A

مجلات خارجی 2017 January Volume (121) No (1) Pages (244-255)
مشاهده مقاله

Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic

Ramesh Kheirabadi ، Mohammad Izadyar

Journal of Physical Chemistry A

مجلات خارجی 2016 December Volume (120) No (51) Pages (10108-10115)
مشاهده مقاله

Glucose derivatives substitution and cyclic peptide diameter effects on the stability of the self-assembled cyclic peptide nanotubes; a joint QM/MD study

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Graphics and Modelling

مجلات خارجی 2016 November Volume (71) No (2017) Pages (28-39)
مشاهده مقاله

Theoretical investigation of the thermal decomposition of imidazolium ionic liquids with different halides ions

Mojtaba Rezaeyan ، Mohammad Izadyar

Journal of Molecular Liquids

مجلات خارجی 2016 October Volume (224) No (1) Pages (460-465)
مشاهده مقاله

Sensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing

Nazanin Noroozi Shad ، Mostafa Gholizadeh ، Mohammad Izadyar

Physical Chemistry Research

مجلات خارجی 2016 September Volume (4) No (3) Pages (427-440)
مشاهده مقاله

The role of the electronic structure and solvent in the dye sensitized solar cells based on Zn-porphyrins; Theoretical study

Foroogh Arkan ، Mohammad Izadyar ، Ali Nakhaei Pour

Energy

مجلات خارجی 2016 September Volume (114) No (1) Pages (559-567)
مشاهده مقاله

Quantum Chemical Aspects Of The Solvent Effects On The Diels Alder Reaction Of 2, 3-Dimethyl-1, 3-butadiene And Diethyl azodicarboxylate

Foroogh Arkan ، Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2016 September Volume (41) No (3) Pages (224-234)
مشاهده مقاله

Computational Kinetic Modeling of the Selenol Catalytic Activity as the Glutathione Peroxidase

Ramesh Kheirabadi ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Theoretical Biology

مجلات خارجی 2016 September Volume (409) No (1) Pages (108-114)
مشاهده مقاله

DFT investigation on the selective complexation of the ionic liquids based on α- amino acid anion and N7,N9- dimethyladeninium cation with CO2

Badralsadat Seyedhosseini ، Mohammad Izadyar ، Mohammad Reza Housaindokht

RSC Advances

مجلات خارجی 2016 September Volume (6) No (1) Pages (85924-85932)
مشاهده مقاله

Density functional theory study of the regio- and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4- phenyl-1-azetin and some substituted nitrile oxides

Amir Khojastehnezhad Golmakani ، Hossein Eshghi ، ، Mehdi Bakavoli ، Mohammad Izadyar ، Javad Tajabadi

Structural Chemistry

مجلات خارجی 2016 August Volume (27) No (4) Pages (1041-1047)
مشاهده مقاله

A theoretical study on the efficiency and role of guanidines-based organic superbases on carbon dioxide utilization in quinazoline-2,4(1H, 3H)-diones synthesis

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar

Structural Chemistry

مجلات خارجی 2016 June Volume (28) No (3) Pages (675-686)
مشاهده مقاله

A theoretical study on the electronic structures and equilibrium constants evaluation of Deferasirox iron complexes

Samie Salehi ، Amir SHokooh Saljooghi ، Mohammad Izadyar

Computational Biology and Chemistry

مجلات خارجی 2016 June Volume (64) No (1) Pages (99-106)
مشاهده مقاله

A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate

Mohammad Khavani Sariani ، Mohammad Izadyar ، Mojtaba Rezaeyan

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2016 June Volume (41) No (2) Pages (153-158)
مشاهده مقاله

Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study

Sadegh Kaviani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Polyhedron

مجلات خارجی 2016 June Volume (117) No (1) Pages (623-627)
مشاهده مقاله

A DFT Study On The Kinetics And Mechanism Of Cyclo-diglycine Thermal Decomposition Reaction In The Gas Phase

Mohammad Khavani Sariani ، Mohammad Izadyar ، Aliyeh Mehranfar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2016 June Volume (41) No (2) Pages (205-213)
مشاهده مقاله

Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism

Samira Peymani ، Mohammad Izadyar ، Ali Nakhaei Pour

Physical Chemistry Research

مجلات خارجی 2016 June Volume (4) No (4) Pages (553-565)
مشاهده مقاله

Borohydride salts as high efficiency reducing reagents for carbon dioxide transformation to methanol: Theoretical approach

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar ، Nazanin Noroozi Shad ، Mehdi Bakavoli ، Fariborz Ziaee

International Journal of Hydrogen Energy

مجلات خارجی 2016 June Volume (41) No (26) Pages (11131-11140)
مشاهده مقاله

The effect of glycosylation on the transferrin structure: A molecular dynamic simulation analysis

Zahra Ghanbari ، Mohammad Reza Housaindokht ، Mohammad Izadyar ،

Journal of Theoretical Biology

مجلات خارجی 2016 May Volume (404) Pages (73-81)
مشاهده مقاله

NCI concept as a powerful tool to investigate the origin of Diels–Alder reaction accelerating inside the self-assembled softball nanoreactor

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar ، Mehdi Bakavoli

Journal of Inclusion Phenomena and Macrocyclic Chemistry

مجلات خارجی 2016 May Volume (85) No (220) Pages (237-246)
مشاهده مقاله

QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β- 6 Cyclodextrin as Oxidase Nanomimic

Elham Barani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Physical Chemistry Research

مجلات خارجی 2016 May Volume (4) No (4) Pages (519-530)
مشاهده مقاله

A Theoretical Study on the Structure–Radical Scavenging Activity of Some Hydroxyphenols

Ramesh Kheirabadi ، Mohammad Izadyar

Physical Chemistry Research

مجلات خارجی 2016 January Volume (4) No (1) Pages (73-82)
مشاهده مقاله

Stereoelectronic effects: a powerful concept in explaning kinetic and thermodynamic aspects of retro cheletropic reactions

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mohammad Izadyar ، Mehdi Bakavoli ، ،

Journal of Chemical Research

مجلات خارجی 2015 November Volume (39) No (11) Pages (635-639)
مشاهده مقاله

Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach

Mohammad Khavani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Physical Chemistry Chemical Physics

مجلات خارجی 2015 September Volume (17) No (38) Pages (25536-25549)
مشاهده مقاله

Quantum chemistry study on the mechanism of oxidation of cysteine to cystine using hydrogen peroxide

Mohammad Khavani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Phosphorus, Sulfur, and Silicon and the Related Elements

مجلات خارجی 2015 September Volume (190) No (10) Pages (1680-1691)
مشاهده مقاله

DFT investigation and molecular dynamic simulation on the selectivecomplexation of cis-cyclic nanopeptides with alkaline earth metalions

Mohammad Khavani ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Sensors and Actuators B: Chemical

مجلات خارجی 2015 August Volume (221) No (16) Pages (1120-1129)
مشاهده مقاله

Particle size effects in Fischer–Tropsch synthesis by cobalt catalyst supported on carbon nanotubes

Ali Nakhaei Pour ، Elham Hosseini ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Chinese Journal of Catalysis

مجلات خارجی 2015 July Volume (36) No (8) Pages (1372-1378)
مشاهده مقاله

Thermal Decomposition Mechanisms of the Ionic Liquids Based on a-Amino Acid Anion and N7,N9- Dimethyladeninium Cation; Quantum Chemistry Approach

Badralsadat Seyedhosseini ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2015 July Volume (209) No (1) Pages (779-784)
مشاهده مقاله

Implicit and explicit solvent effects on the selectivity of cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study

Mohammad Khavani ، Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2015 July Volume (40) No (3) Pages (303-312)
مشاهده مقاله

A quantum chemistry study on the performance of porphyrin-based solar cell sensitisers; Zinc and anchor group position effects

Foroogh Arkan ، Mohammad Izadyar ، Ali Nakhaei Pour

Molecular Physics

مجلات خارجی 2015 July Volume (113) No (23) Pages (3815-3825)
مشاهده مقاله

Dissociative hydrogen adsorption on the cubic cobalt surfaces: A DFT study

Ali Nakhaei Pour ، Zahra Keivanloo Shahrestanaki ، Mohammad Izadyar ، SeyedMajed Modaresi

International Journal of Hydrogen Energy

مجلات خارجی 2015 June Volume (40) No (22) Pages (7064-7071)
مشاهده مقاله

N–ethylcarbazole-Doped Fullerene as a Potential Candidate for Hydrogen Storage, Kinetics Approach

Aliyeh Mehranfar ، Mohammad Izadyar

RSC Advances

مجلات خارجی 2015 June Volume (5) No (1) Pages (49159-49167)
مشاهده مقاله

The origin of regio- and stereoselectivity in 1,3-dipolar cycloaddition of nitrile oxides with C1-substituted 7- oxabenzonorbornadienes, A DFT study

Javad Tajabadi ، Mehdi Bakavoli ، Mostafa Gholizadeh ، Hossein Eshghi ، Mohammad Izadyar

RSC Advances

مجلات خارجی 2015 May Volume (5) No (2) Pages (38489-38498)
مشاهده مقاله

Different Aspects of Single Wall Carbon Nanotube Functionalization by Aniline Adsorption; Quantum Mechanics/Molecular Mechanics Study

Mahmood Abedini ، Mohammad Izadyar ، Ali Nakhaei Pour

Journal of Nano Research

مجلات خارجی 2015 April Volume (32) No (1) Pages (1-16)
مشاهده مقاله

A combined quantum mechanics and molecular mechanics study on nitrogen oxide adsorption/ dissociation on a tungsten oxide surface

Mohammad Izadyar ، Rahim Balgerdi ، Mehrdad Pourayoubi

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2015 April Volume (40) No (2) Pages (128-142)
مشاهده مقاله

Hydrogen storage by N-ethylcarbazol as a new liquid organic hydrogen carrier: A DFT study on the mechanism

Aliyeh Mehranfar ، Mohammad Izadyar ، Abbas Ali Esmaeili

International Journal of Hydrogen Energy

مجلات خارجی 2015 April Volume (40) No (17) Pages (5797-5806)
مشاهده مقاله

Efficient synthesis of novel spiro[indole-3,6'- pyrano[2,3-d][1,3]thiazolo[3,2-a]pyrimidine derivatives through an organobase-catalyzed, three- component reaction

Abbas Ali Esmaeili ، ، ، ، Mohammad Izadyar ، ، Alireza Salimi

Tetrahedron

مجلات خارجی 2015 April Volume (71) No (16) Pages (2458-2462)
مشاهده مقاله

A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube

Mohammad Izadyar ، Mohammad Khavani ، Mohammad Reza Housaindokht

Physical Chemistry Chemical Physics

مجلات خارجی 2015 April Volume (17) No (17) Pages (11382-11391)
مشاهده مقاله

Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study

Mohammad Izadyar ، Neda Zavvar ، Mohammad Reza Housaindokht ، Mohammad Khavani ،

Physical Chemistry Research

مجلات خارجی 2015 January Volume (3) No (1) Pages (67-77)
مشاهده مقاله

A comprehensive study of the solvent effects on the cycloaddition reaction of diethyl azodicarboxylate and ethyl vinyl ether: Efficient implementation of QM and TD-DFT study

Mohammad Khavani ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2015 January Volume (115) No (6) Pages (381-388)
مشاهده مقاله

A Qm/Mm Study of No Oxidation on the Nanocrystalline Surface of Tungsten Oxide

Mohammad Izadyar ، Rahim Balgerdi

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2015 January Volume (40) No (1) Pages (69-76)
مشاهده مقاله

Cyclic Nanostructures of Tungsten Oxide (WO3)n (n=2-6) As NOx Gas Sensor; A Theoretical Study

Mohammad Izadyar ، Azam Jamsaz

International Journal of Analytical Chemistry

مجلات خارجی 2014 November Volume (2014) No (1) Pages (1-6)
مشاهده مقاله

Kinetics and Mechanism of Diallyl Sulfoxide Pyrolysis; A Combined Theoretical and Experimental Study in Gas Phase

Mohammad Izadyar ،

RSC Advances

مجلات خارجی 2014 November Volume (4) No (108) Pages (62809-62816)
مشاهده مقاله

Ionic liquids based on α-amino acids; a structural insights into [dMA] 2 [AA] and computational evaluation of the hydrogen bonds

Badralsadat Seyedhosseini ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Molecular Liquids

مجلات خارجی 2014 November Volume (200) No (2) Pages (439-447)
مشاهده مقاله

Theoretical investigation of the chemoselectivity and synchronously pyrazole ring formation mechanism from ethoxymethylenemalononitrile and hydrazine hydrate in the gas and solvent phases: DFT, meta-GGA studies and NBO analysis

Hossein Sabet-Sarvestani ، Hossein Eshghi ، Mehdi Bakavoli ، Mohammad Izadyar ، Mohammad Rahimizadeh

RSC Advances

مجلات خارجی 2014 September Volume (4) No (4) Pages (43485-43495)
مشاهده مقاله

A facile access to highly functionalized triphenylphosphoranylidene succinimides through a three-component reaction and DFT investigation on the reaction mechanism

Abbas Ali Esmaeili ، ، ، ، Mohammad Izadyar ، Mohammad Khavani ،

RSC Advances

مجلات خارجی 2014 August Volume (4) No (4) Pages (37900-37907)
مشاهده مقاله

Size-controlled synthesis of SnO2 nanoparticles using reverse microemulsion method

Nasser Zamand ، Ali Nakhaei Pour ، Mohammad Reza Housaindokht ، Mohammad Izadyar

Solid State Sciences

مجلات خارجی 2014 July Volume (33) No (1) Pages (6-11)
مشاهده مقاله

QTAIM and NBO Analysis of a New Oxidative Salt of 1,1/-(Ethane-1, 2-diyl) Dipyridinium bisiodate

Mohammad Khavani ، Mohammad Izadyar ، Mostafa Gholizadeh ، Mohammad Reza Housaindokht

Oriental Journal of Chemistry

مجلات خارجی 2014 June Volume (30) No (2) Pages (785-791)
مشاهده مقاله

Quantum chemistry aspects of the solvent effects on the ene reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-methyl-2-butene

Mohammad Izadyar ، Mohammad Khavani

International Journal of Quantum Chemistry

مجلات خارجی 2014 May Volume (114) No (10) Pages (666-674)
مشاهده مقاله

Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents

Zahra Ghanbari ، Mohammad Reza Housaindokht ، Mohammad Izadyar ، ، Hossein Eshtiagh Hosseini ، Ahmad Reza Bahrami ، Maryam Moghaddam Matin ،

The Scientific World Journal

مجلات خارجی 2014 April Volume (2014) Pages (1-10)
مشاهده مقاله

Computational study on the mechanism of N-phenylimine derivatives’ pyrolysis reaction in the gas phase

Mohammad Izadyar

Journal of the Iranian Chemical Society

مجلات خارجی 2014 February Volume (11) No (1) Pages (399-406)
مشاهده مقاله

Detailed kinetics of Fischer–Tropsch synthesis on a precipitated iron catalyst

Ali Nakhaei Pour ، Hamideh Khodabandeh Baygi ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Reaction Kinetics, Mechanisms and Catalysis

مجلات خارجی 2014 January Volume (111) No (1) Pages (29-44)
مشاهده مقاله

Diastereoselective synthesis of highly functionalized quinolizines via a pyridine-based three-component reaction and a DFT investigation on the reaction mechanism

Abbas Ali Esmaeili ، ، ، Mohammad Izadyar ،

Tetrahedron Letters

مجلات خارجی 2014 January Volume (55) No (2) Pages (333-337)
مشاهده مقاله

N-Phenyl-1-methyl-6-methylenecyclohexa-2,4- dienylmethanimine retro cheletropic-ene reaction, a theoretical kinetic study

Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2013 December Volume (4) No (38) Pages (408-416)
مشاهده مقاله

Mechanistic double ASF product distribution study of Fischer-Tropsch Synthesis on precipitated iron catalyst

Ali Nakhaei Pour ، Hamideh Khodabandeh Baygi ، Mohammad Izadyar ، Mohammad Reza Housaindokht

Journal of Natural Gas Science and Engineering

مجلات خارجی 2013 November Volume (15) No (5) Pages (53-58)
مشاهده مقاله

A theoretical study of the mechanism and kinetics of the thermal decomposition of carbamoyl azide

، Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2013 August Volume (38) No (3) Pages (305-315)
مشاهده مقاله

Quantum Chemistry Aspects of the Solvent Effects on 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide Pyrolysis Reaction

Mohammad Izadyar ، Mostafa Gholizadeh ، Mohammad Khavani ، Mohammad Reza Housaindokht

Journal of Physical Chemistry A

مجلات خارجی 2013 March Volume (117) No (12) Pages (2427-2433)
مشاهده مقاله

Combination of X-ray crystallography and theoretical study to evaluate the effect of N-H...O=P versus N-H...O=C hydrogen bonds on the N-H stretching frequencies

Mehrdad Pourayoubi ، Mohammad Izadyar ، Behrouz Elahi ،

Journal of Molecular Structure

مجلات خارجی 2013 February Volume (1034) No (2) Pages (354-362)
مشاهده مقاله

Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers

Seyed Hasan Kazemi Riabi ، Hossein Eshtiagh Hosseini ، Mohammad Izadyar ، Masoud Mirzaei Shahrabi

Physical Chemistry Research

مجلات خارجی 2013 January Volume (1) No (2) Pages (117-125)
مشاهده مقاله

Gas Phase Pyrolysis Reaction of 1-pyrazoline: A Theoretical Kinetic Study

Mohammad Izadyar ،

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2012 September Volume (37) No (4) Pages (423-435)
مشاهده مقاله

First-Principles Calculations on the Kinetics and Mechanism of the Retro-Ene Reaction of Diallyl Amine in the Gas Phase

Mohammad Izadyar

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2012 May Volume (37) No (2) Pages (193-202)
مشاهده مقاله

The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study

Reza Izadi Najafabadi ، Mohammad Reza Housaindokht ، Mohammadsadegh Sadeghi Googheri ، Mohsen Sargolzaei ، Mohammad Izadyar

International Journal of Quantum Chemistry

مجلات خارجی 2012 January Volume (112) No (14) Pages (2675-2680)
مشاهده مقاله

A Computational Study of the Kinetics and Mechanism of the Gas Phase Pyrolysis of Allyl Methyl Amine

Mohammad Izadyar ، ،

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2011 February Volume (36) No (1) Pages (63-72)
مشاهده مقاله

Chemical Wave Studies in the Bromate–Pyrocatechol Beads System

، Mohammad Izadyar

International Journal of Chemical Kinetics

مجلات خارجی 2011 February Volume (43) No (6) Pages (1-6)
مشاهده مقاله

DFT Calculations on theRetro-ene Reactions, Part III: Allyl Benzyl Sulfide Pyrolysis in the Gas Phase

Mohammad Izadyar ،

Finite Elements

مجلات خارجی 2007 January Volume (1) No (1) Pages (159-163)
مشاهده مقاله

Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study

Mohammad Izadyar ، ،

Chemical Physics

مجلات خارجی 2006 January Volume (330) No (3) Pages (394-400)
مشاهده مقاله

Substituent effects on the gas phase reactivity of alkyl allyl sulfides, a theoretical study

Mohammad Izadyar ،

Journal of Molecular Structure

مجلات خارجی 2005 October Volume (759) No (1) Pages (11-15)
مشاهده مقاله

Gas phase kinetics and mechanism of 2,2-dimethyl but-3-enal and 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde retro-cheletropic ene reaction

، Mohammad Izadyar

Journal of Molecular Structure

مجلات خارجی 2004 November Volume (672) No (1) Pages (61-66)
مشاهده مقاله

DFT Calculations on retro-ene reactions Part I: allyl n-butyl sulfide pyrolysis in the gas phase

Mohammad Izadyar ، ،

Journal of Chemical Research

مجلات خارجی 2004 November Volume (2004) No (1) Pages (585-588)
مشاهده مقاله

DFT calculations on the retro-ene reactions, part II: allyl n-propyl sulfide pyrolysis in the gas phase

Mohammad Izadyar ، ،

Journal of Molecular Structure

مجلات خارجی 2004 August Volume (686) No (1) Pages (37-42)
مشاهده مقاله

A joint experimental and computational study on the kinetic and mechanism of diallyl disulfide pyrolysis in the gas phase

، Mohammad Izadyar

Chemical Physics

مجلات خارجی 2004 February Volume (301) No (1) Pages (45-51)
مشاهده مقاله

Gas phase kinects and mechanism of diallyl sulfide thermal decomposition

، Mohammad Izadyar

Journal of Physical Organic Chemistry

مجلات خارجی 2003 March Volume (16) No (3) Pages (153-157)
مشاهده مقاله

Photoswitching Mechanism of Cyanine-based Dyes; Computational Study on Photostability

Mohammad Izadyar - Syed Ali Abbas Abedi - Xiaogang Liu

30th Canadian Symposium on Theoretical and Computational Chemistry (CSTCC2024)

کنفرانس های خارجی | 2024-07-22
مشاهده مقاله

Computational design of molecularly imprinted polypyrrole biosensor for urea detection: A density functional theory study

Elham Rajaee - Mohammad Izadyar

9th International Conference on Chemistry, Chemical engineering and Petroleum engineering

کنفرانس های خارجی | 2021-11-18
مشاهده مقاله

Optoelectronic properties of metal free triphenyamine-based dyes

Faeze Pakravesh - Mohammad Izadyar - فروغ ارکان

شانزدهمین همایش ملی شیمی دانشگاه پیام نور

کنفرانس های خارجی | 2020-09-16
مشاهده مقاله

The kinetics of charge transfer in triphenyamine-based Photosensitizers

Faeze Pakravesh - Mohammad Izadyar - فروغ ارکان

شانزدهمین همایش ملی شیمی دانشگاه پیام نور

کنفرانس های خارجی | 2020-09-16
مشاهده مقاله

Computational Modeling of Glutathione Peroxidase Mimic in Hydrogen Peroxide Reduction at Various Temperatures

Mohamad Tashakori Karimzadeh - Mohammad Izadyar - رامش خیرابادی

22nd Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2019-08-20
مشاهده مقاله

Solvent Effects on the Reduction of Hydrogen Peroxide in the presence of Glutathione Peroxidase Mimic, Molecular Approach

Mohamad Tashakori Karimzadeh - Mohammad Izadyar - رامش خیرابادی

22nd Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2019-08-20
مشاهده مقاله

Theoretical Design of Aptasensor Based on the Gold nanoparticles

Mohammad Khavani Sariani - Mohammad Izadyar - Mohammad Reza Housaindokht

1th National Conference on Applied Chemistry & Nanochemistry

کنفرانس های خارجی | 2018-11-14
مشاهده مقاله

Charge transfer processes in dye-sensitized solar cells based on flavonoid derivatives: A computational study

Samira Sabagh - Mohammad Izadyar - فروغ ارکان

1th National Cnference on Applied Chemistry and Nanochemistry

کنفرانس های خارجی | 2018-11-13
مشاهده مقاله

Photovoltaic behavior of isorhamnetin pigment in dye-sensitized solar cell: A theoretical study

Samira Sabagh - Mohammad Izadyar - فروغ ارکان

1th National Cnference on Applied Chemistry and Nanochemistry

کنفرانس های خارجی | 2018-11-13
مشاهده مقاله

The Investigation of the T30695 Aptamer Selectivity toward Pb2+ Ion: A Molecular Dynamic Simulation Study

Seyyedeh Zahra Khoshbin - Mohammad Reza Housaindokht - Mohammad Izadyar - M.R. Bozorgmehr - Asma Verdian

15th CBC Conference on Biophysical Chemistry

کنفرانس های خارجی | 2018-10-23
مشاهده مقاله

DFT Study on CO2 Absorption by a New Generation of Ionic Liquids

Mojtaba Rezaeian - Mohammad Izadyar

1th National Cnference on Applied Chemistry and Nanochemistry

کنفرانس های خارجی | 2018-10-14
مشاهده مقاله

Carrier lifetime improvement in D-π-A systems; Molecular engineering of the dye-sensitized solar cell

Foroogh Arkan - Mohammad Izadyar - S. A.R. Ayatizadeh

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Time-dependent properties and major electronic transitions in diphenylbacteriochlorin as a dye in DSSC: A quantum chemistry study

Samira Peymani - Mohammad Izadyar - Foroogh Arkan

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Highly dispersed Palladium nanoparticle-loaded magnetic catalyst for Suzuki reaction in water

Iraj Sarvi - Mostafa Gholizadeh - Mohammad Izadyar

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Ground to excited state transition electric dipole moments in the MAPbCl3/MAPbBr3 perovskites and efficiency of the PSCs

Foroogh Arkan - Mohammad Izadyar

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Spectroscopic properties of a metal-free indoloquinoxaline-based dye

Fatemeh Barati Darband - Mohammad Izadyar - Foroogh Arkan

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Theoretical prediction of nonmetal-doping effects on the photocatalytic performance of graphite-like carbon nitrides

Elnaz Ranjbakhsh - Mohammad Izadyar - Ali Nakhaei Pour

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

A bacteriochlorin-based structure with a good planarity in charge transfer in DSSCs

Samira Peymani - Mohammad Izadyar - Foroogh Arkan

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Electron-hole transfer in the dye-based solar cells: A computational study on indoloquinoxaline and triphenylamine derivatives

Fatemeh Barati Darband - Mohammad Izadyar - Foroogh Arkan

20th Iranian Chemistry Congress

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Evaluation of the DNA-targeted anti-cancer interaction by md simulation

Ebrahim Azarhazin - Mohammad Izadyar - Mohammad Reza Housaindokht

3rd International Nastaran Cancer Symposium 2017

کنفرانس های خارجی | 2017-11-29
مشاهده مقاله

Time-dependent DFT study on the photovoltaic properties of the inorganic perovskite-based solar cells

Foroogh Arkan - Mohammad Izadyar

4th International Conference on Solar Energy (ICESE-2017)

کنفرانس های خارجی | 2017-11-25
مشاهده مقاله

Hybrid Cyclic Nanopeptides as Ion Sensors, Molecular Approach

Mohammad Izadyar - Mohammad Khavani Sariani - Mohammad Reza Housaindokht

3rd International Conference on Sensors and Electronic Instrumentation Advances (SEIA' 2017)

کنفرانس های خارجی | 2017-09-20
مشاهده مقاله

A theoretical study on the [Al(DFX)2]3-, [Fe(DFX)2]3- and [Ga(DFX)2]3- complexes

Sadegh Kaviani - Mohammad Izadyar

20th Physical chemistry conference, IPCC20

کنفرانس های خارجی | 2017-08-20
مشاهده مقاله

QM/MM studies on the Zn(II)-DPA-protein as the biosensor of P-Tyr onion

Khadije Larijani Sheleri - Mohammad Izadyar - Mohammad Reza Housaindokht

18th Iranian Inorganic Chemistry Conference

کنفرانس های خارجی | 2017-03-07
مشاهده مقاله

Synthesis, spectral properties and DFT/TD-DFT investigation on the electronic structure of O,O'-diethyl(3,4-dimethylanilin-1-yl) thiophosphonate

Elham Torabi Farkhani - Mehrdad Pourayoubi - Mohammad Izadyar - Pavel V. Andreev - Ekaterina S. Shegravina

18th Iranian Inorganic Chemistry Conference

کنفرانس های خارجی | 2017-03-07
مشاهده مقاله

THEORETICAL STUDY ON THE MOLECULAR TAUTOMERISM OF THE 5-HYDROXY-2-HYDROXY METHYL PYRIDINE-4(1H)-ONE

Mohammad Izadyar - Sadegh Kaviani

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS

Mohammad Khavani Sariani - Mohammad Izadyar - Mohammad Reza Housaindokht

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

PHOSPHORYLATED PEPTIDE AND ZINC(II)-DIPICOLYLAMINE COMPLEX AS A BIOSENSOR FOR IDENTIFICATION OF THE CHLORIDE ANION

Khadije Larijani Sheleri - Mohammad Izadyar - Mohammad Reza Housaindokht

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

COMPUTATIONAL STUDY OF THE SOLVENTS EFFECTS ON THE HYDROGEN PEROXIDE SCAVENGING THE IN PRESENCE OF

Ramesh Kheirabadi - Mohammad Izadyar

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

SPIN STATE EFFECT ON THE QUANTUM-CHEMICAL REACTIVITY INDICES OF IRON(III)-DEFERIPRONE COMPLEXES

Mohammad Izadyar - Sadegh Kaviani - Mohammad Reza Housaindokht

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

HYDROGEN ADSORPTION ON THE NANOSTRUCTURES DOPED WITH NITROGEN, BORON AND ALUMINIUM, DENSITY FUNCTIONAL THEORY APPROACH

Aliyeh Mehranfar - Mohammad Izadyar

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

PHOSPHATE ANION DETECTION BY PHOSPHORYLATED PEPTIDE AND Zn-DPA COMPLEX AS A BIOSENSOR

Khadije Larijani Sheleri - Mohammad Izadyar - Mohammad Reza Housaindokht

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

MOLECULAR DYNAMIC SIMULATION STUDY ON THE SELECTIVE COMPLEXATION OF PORPHYRIN TRIMER WITH FULLERENES

Mohammad Khavani Sariani - Mohammad Izadyar - Aliyeh Mehranfar - Mohammad Reza Housaindokht

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

A THEORETICAL OVERVIEW ON THE RATE OF DIMERIZATION OF CYCLOPENTADIENE

Aliyeh Mehranfar - Mohammad Izadyar - Mohammad Khavani Sariani

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-13
مشاهده مقاله

THERMODYNAMIC AND KINETIC STUDY OF HYDROGEN PEROXIDE SCAVENGING IN THE PRESENCE OF VITAMIN C AS AN ANTIOXIDANT IN DIFFERENT TEMPERATURES

Ramesh Kheirabadi - Mohammad Izadyar

19th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-09-12
مشاهده مقاله

Theoretical Design of a New Generation of the Cyclic Lipopeptide Nanotubes

Mohammad Khavani Sariani - Mohammad Izadyar

ICN6-6th international conference on nanostructures

کنفرانس های خارجی | 2016-03-08
مشاهده مقاله

DFT Study on the CO2 Capture by the New Generation of the Ionic Liquids

Badralsadat Seyedhosseini - Mohammad Izadyar - Mohammad Reza Housaindokht

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

QTAIM Investigation of the Adsorption of Carbon Dioxide on the Imidazolium Based Ionic liquid with Amino Acidic Anion

Mojtaba Rezaeian - Mohammad Izadyar - Ali Nakhaei Pour

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor

Khadije Larijani Sheleri - Mohammad Izadyar - Mohammad Khavani Sariani - Mohammad Reza Housaindokht

18th Iranian Physical Chemistry Conference Kish Island, March 5-8, 2016

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

A Theoretical Study on the Adsorption of Carbon Dioxide on the [Emi][Lys] Ionic liquid

Mojtaba Rezaeian - Mohammad Izadyar -

18th Iranian Physical Chemistry Conference Kish Island, March 5-8, 2016

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

Evaluation of DNA- targeted Anticancer Interaction by Molecular Dynamic Simulation; Ethyl Butyryl Triphenyl Phosphonium Chloride

Ebrahim Azarhazin - Mohammad Izadyar - Mohammad Reza Housaindokht

First International Nastaran CancerSymposium 2015

کنفرانس های خارجی | 2015-10-01
مشاهده مقاله

Is Heterocyclic Peptide Nanotube of 1,4-Disubstituted-1,2,3-Triazole Amino Acid Suitable for ION and Drug Delivery?

Mohammad Izadyar - Mohammad Khavani

Asian nano Congress 2015

کنفرانس های خارجی | 2015-03-08
مشاهده مقاله

N-Ethylcarbazole Doped in Fullerene Nano-cage as a New Hydrogen Carrier

Mohammad Izadyar - Aliyeh Mehranfar

Asian nano Congress 2015

کنفرانس های خارجی | 2015-03-08
مشاهده مقاله

NBO Analysis for the Encapsulation of H2O2 in Functionalized B -Cyclodextrin by Density Functional Theory

Elham Barani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

A Theoretical Study on the Structure–Radical Scavenging Activity of 2-Amino Phenol and 3-Amino Phenol

Ramesh Kheirabadi - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Alkyl Chain Length Dependence of Hydrogen Storage of N-Ethylcarbazole: A Theoretical Study

Aliyeh Mehranfar - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Theoretical Study of the Solvent Effect on the Rate of the Keto-Enol Tautomerization

Mohammad Khavani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

A Theoretical Study on the Solvent Effects and Activation Energy for the Encapsulation of H2O2 in beta-Cyclodextrin

Elham Barani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Quantum Chemistry Description of Some Ionic Liquids: Theoretical Approach

Mojtaba Rezaeyan - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

NBO and Spin Density Analysis of o-Phenylenediamine and p-Phenylenediamine as Radical Scavengers

Ramesh Kheirabadi - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Theoretical Study on the Sulfur Dioxide Adsorption on the Single-Walled Carbon Nanotube

Samira Peymani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide

Mohammad Khavani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

A DFT Study on the Decomposition Mechanism of [HMIM]Cl Ionic Liquid

Mojtaba Rezaeyan - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Computational Study on the Mechanism of N-Ethylcarbazole Hydrogenation

Aliyeh Mehranfar - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Natural Bond Orbital Analysis of Sulfur Dioxide Adsorption on the Single- Walled Carbon Nanotube

Samira Peymani - Mohammad Izadyar

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Tungsten Oxide Nanocrystals and NOx Sensing Properties

Mohammad Izadyar - Azam Jamsaz

The 16th Iranian physical Chemistry Coference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

A DFT Study on the Thermodynamics Properties of new Oxidative Salt of 1, 1/- (Ethane-1, 2-diyl) dipyridinium dichromate (VI)

Mohammad Izadyar - Mohammad Khavani - Mostafa Gholizadeh

The 16th Iranian physical Chemistry Coference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

Quantum Chemistry Aspects of the Ionic Liquids Based on Amino Acid

Mohammad Izadyar - Badralsadat Seyedhosseini - Mohammad Reza Housaindokht

The 16th Iranian physical Chemistry Coference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

Solvent Effects on the Kinetics of Cycloaddition Reactions of 2,3- Dimethy butadiene and Diethylazodicarboxylate; A DFT Study

Mohammad Izadyar - Mohammad Khavani

16th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

DFT Study on the Interactions of NO-WO3 Nano-Clusters

Azam Jamsaz - Mohammad Izadyar

The 16th Iranian physical Chemistry Coference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

Theoretical Study on the Structure of theIonic Liquid[MA]+[Gly]

Mohammad Izadyar - Badralsadat Seyedhosseini - Mohammad Reza Housaindokht

The 16th Iranian physical Chemistry Coference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

Theoretical Study of NO Oxidation on the Nanocrystalline Surface of the Cubic Tungsten Oxide

Mohammad Izadyar - Rahim Balgerdi - Mehrdad Pourayoubi

The 16th Iranian Chemistry Congress

کنفرانس های خارجی | 2013-09-07
مشاهده مقاله

Aniline Adsorption on the End-capped(6,6) single wallCarbon Nanotube; A Theoretical Study

Mohammad Izadyar - Mahmood Abedini - Ali Nakhaei Pour - Fatemeh Moosavi

The 16th Iranian Chemistry Congress

کنفرانس های خارجی | 2013-09-07
مشاهده مقاله

Density of States and Natural Bond Orbital Analysis on the NO Degradationon the Tungsten OxideSurface

Mohammad Izadyar - Rahim Balgerdi - Mehrdad Pourayoubi

The 16th Iranian Chemistry Congress

کنفرانس های خارجی | 2013-09-07
مشاهده مقاله

A Joint Experimental and Theoretical Study on the Synthesis and Structure of the new Oxidative salt of Triphenyl [2-(triphenylphosphaniumyl) ethyl] phosphanium bis(periodate)

Mohammad Izadyar - Mostafa Gholizadeh - Mohammad Khavani

20th Seminar of Organic Chemistry

کنفرانس های خارجی | 2013-07-03
مشاهده مقاله

Theoretical Study on the Microsolvation of Alanin at the X3LYP Level

Mohammad Izadyar - Ali Nakhaei Pour - Nasibeh Modabber - Mohammad Reza Housaindokht

1st Tabriz International Life Science Conference and 12thIran Biophysical Chemistry Conference (TILSC & IBCC), 2013

کنفرانس های خارجی | 2013-05-22
مشاهده مقاله

The Second Structure of the Protein Effects on the Histidine Acidity in Glycine Polypeptide Chain, A Quantum Chemistry Study

Mohammad Izadyar - Neda Zavvar - Mohammad Reza Housaindokht

4th Iranian Bioinformatics Conference

کنفرانس های خارجی | 2012-11-06
مشاهده مقاله

DOS Spectra and NBO Analysis of the NO2Surface Interactions on the Cyclic (WO3)n (n=2-6) Nano-Clusters

Mohammad Izadyar - Azam Jamsaz - Elaheh Kafshdare Goharshadi

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-06
مشاهده مقاله

HOMO-LUMO Energy and NBO Analysis on Chemical Reactivity Description of Some Derivatives of 1-Pyrazolines

Mohammad Izadyar - Ali Mansoori - Mohammad Reza Housaindokht

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide

Mohammad Izadyar - Mostafa Gholizadeh - Mohammad Khavani

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase

Mohammad Izadyar

15Iranian physical chemistry seminar

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

Kinetic Isotope Effects Investigation on the Mechanism of Nitrogen Extrusion from 3-Methyl-1-Pyrazoline

Mohammad Izadyar - Ali Mansoori - Mohammad Reza Housaindokht

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

NBO Analysis of Fe (III)-salen and Fe (III)-salen-like complexes as potent anticancer agents

Zahra Ghanbari - Mohammad Izadyar - Mohammad Reza Housaindokht

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

AIM, NBO and HOMO-LUMO Analysis of 1,1/-(Ethane-1,2-diyl)dipyridinium bis(iodate) (EDB) by Density Functional Method

Mohammad Izadyar - Mostafa Gholizadeh - Mohammad Khavani

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

Quantum Study of the Gas Phase Unimolecular Elimination Kinetics of 5-Substituted Groups of Allyl Sulfides

Mohammad Izadyar

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

Effects of Static Magnetic Field on Activity of Immobilized α- amylase on Silica Gel

Mina Arya - Mohammad Reza Housaindokht - Mohammad Izadyar

First International and 11th Iran conference on Biophysical Chemistry (ICBC) Ardabil University of Medical Sciences , Ardabil, Iran

کنفرانس های خارجی | 2012-06-13
مشاهده مقاله

PKa Calculation of the Positively Charged Amino acids in a Protein Chain, an Assessment of Theoretical Procedure

Mohammad Izadyar - Neda Zavvar - Mohammad Reza Housaindokht

First International and 11th Iran conference on Biophysical Chemistry (ICBC) Ardabil University of Medical Sciences , Ardabil, Iran

کنفرانس های خارجی | 2012-06-13
مشاهده مقاله

Kinetics and Mechanism of 4-Methyl-1- Pyrazoline Pyrolysis in the Gas Phase, A Computational Study

Mohammad Izadyar - Ali Mansoori

Eighteenth Iranian of Organic Chemistry 2012 March 7-9

کنفرانس های خارجی | 2012-03-07
مشاهده مقاله

Quantum Chemical Study of the NO Adsorption on the WO3 Nano-clusters

Mohammad Izadyar - Azam Jamsaz

International Conference on Nanomaterials & Nanotechnology (ICNANO-2011)

کنفرانس های خارجی | 2011-12-18
مشاهده مقاله

15th Iranian Chemistry Congress

Mohammad Izadyar

KINETIC ISOTOP EFFECT ON THE THERMAL DECOMPOSITIUON OF DMB

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

Reaction Path for C3H5SCH2F Pyrolysis, A Theoretical Study

Mohammad Izadyar - Ali Mansoori

1th National Iranian New Chemistry Congress

کنفرانس های خارجی | 2011-05-04
مشاهده مقاله

Experimental Kinetics of 2-Pyridylacetic acid Pyrolysis

Mohammad Izadyar

14th Iranian physcical chemistry conference

کنفرانس های خارجی | 2011-02-25
مشاهده مقاله

Theoretical Computation on the Reto-ene Reactions, Part III : Allyl Methyl Amine Pyrolysis in the Gas Phase

Mohammad Izadyar - M. Harati

93rd canadaian Chemistry Conference and Exhibition

کنفرانس های خارجی | 2010-05-29
مشاهده مقاله

Kinetics and mechanism of propene elimination from allyl methyl amine pyrolysis in the gas phase

Mohammad Izadyar - E. Esmaili

13th Iranian Physical Chemistry Seminar

کنفرانس های خارجی | 2010-04-06
مشاهده مقاله

A Computational Study on the Kinetics of 2-Pyridyl acetic Acid Pyrolysis in the Gas Phase

Mohammad Izadyar - N. Zamani

11th Iranian Physical Chemistry Seminar

کنفرانس های خارجی | 2008-07-21
مشاهده مقاله

A Computational Study on the Kinetic and Mechanism of Allyl benzyl sulphide Pyrolysis in the Gas Phase

Mohammad Izadyar - N. Zamani

7th WSEAS Int. Conf. on APPLIED COMPUTER and APPLIED COMPUTATIONAL SCIENCE (ACACOS 08)

کنفرانس های خارجی | 2008-04-06
مشاهده مقاله

DFT Calculations on the Retro-ene Reaction of Allyl n-Buthyl Sulfide Pyrolysis in the Gas Phase

Mohammad Izadyar - M. R. Gholami

ICCMSE 2004) Conference of Comutational Methods in Science and Engineering)

کنفرانس های خارجی | 2004-11-19
مشاهده مقاله

Ab initio Calculations on Allyl sulfide Eimination Reaction

M. R. Gholami - Mohammad Izadyar

6th Iranian Physical Chemistry Seminar

کنفرانس های خارجی | 2002-08-20
مشاهده مقاله

بررسی ساختار و پایداری کمپلکس‌های کتکول با یون‌های نیترات و هیدروژن سولفات از طریق مطالعه نظری پیوند هیدروژنی

مهران بادبدست - محمد ایزدیار - مصطفی قلی زاده

شیمی و مهندسی شیمی ایران

مجلات داخلی | آبان ۱۳۹۸ دوره (37) شماره (4) صفحات (287-300)
مشاهده مقاله

اثر امواج فراصدا بر پایداری شیمیایی و گرمایی پروتئین آلفا-لاکتالبومین

سیدمحمد حسینی - محمدرضا حسین دخت - محمد ایزدیار - رضا ایزدی نجف آبادی

انجمن مهندسی صوتیات ایران

مجلات داخلی | مهر ۱۳۹۷ دوره (5) شماره (1) صفحات (56-63)
مشاهده مقاله

بررسی اثرات ضدتکثیری و القاء آپوپتوز کمپلکس‌های نیکل با لیگاندهای مالتول، دیفریپرون و ۳-هیدروکسی فلاون بر روی چند رده‌‌ی سلول سرطانی

شمیلا آزموده - محمد ایزدیار - امیر شکوه سلجوقی - مریم بابائی ماهانی

تازه های بیوتکنولوژی سلولی مولکولی

مجلات داخلی | خرداد ۱۳۹۶ دوره (7) شماره (26) صفحات (43-58)
مشاهده مقاله

اثر حلال بر دینامیک انتقال بار در سلولهای خورشیدی بر پایه رنگهای پورفیرین: مطالعه شیمی کوانتومی

فروغ ارکان - محمد ایزدیار

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | اسفند ۱۳۹۵ دوره (6) شماره (20) صفحات (35-47)
مشاهده مقاله

حسگرشیمیایی رنگ سنجی بسیار گزینش پذیر برای آنیون فلوئورید از طریق برهمکنش پیوند هیدروژنی: مطالعه تجربی و نظری

نازنین نوروزی شاد - مصطفی قلی زاده - محمد ایزدیار - حسین ثابت سروستانی - نرجس اشرف

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | اسفند ۱۳۹۵ دوره (7) شماره (21) صفحات (65-76)
مشاهده مقاله

شبیه سازی اثر موج ضربه بر ساختار ترنسفرین

محمدرضا حسین دخت - زهرا قنبری - بزرگمهر محمدرضا - محمد ایزدیار

چهارمین کنگرۀ انجمن صوتیّات ایران

کنفرانس های داخلی | ۱۳۹۶/۱۲/۱۶
مشاهده مقاله

بررسی نظری اثر حلال بر دینامیک انتقال بار در سلول خورشیدی بر پایه رنگ پورفیرینی از طریق توصیفگرهای شیمی کوانتومی

فروغ ارکان - محمد ایزدیار

ششمین کنفرانس سلول های خورشیدی نانوساختاری

کنفرانس های داخلی | ۱۳۹۵/۱۰/۰۲
مشاهده مقاله

Carboxyl group position effect on the dye-sensitized solar cell performance and the investigation of the quantum chemistry reactivity indices

محمد ایزدیار - فروغ ارکان

5th Nanostructured Solar Cells Conference

کنفرانس های داخلی | ۱۳۹۴/۰۹/۲۶
مشاهده مقاله

لزوم فناوری نانو و دستاوردهای آن

محمد ایزدیار

اولین سمینار منطقه ای فناوری نانو

کنفرانس های داخلی | ۱۳۸۷/۰۱/۲۷