2  دستاوردهای پژوهشی

 

این بخش شامل معرفی مقالاتی است که برای آماده سازی آن, از سرویس محاسبات سنگین دانشگاه بهره گرفته شده است. این مقالات توسط دانشجویان و اساتید به مجموعه محاسبات  سنگین اطلاع رسانی شده است.

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 متن پیشنهادی Acknowledgement (جهت استفاده در پایان نامه و مقاله ها):

بخشی از محاسبات این تحقیق در مرکز محاسبات سنگین دانشگاه فردوسی مشهد, انجام شد که بدینوسیله تشکر میشود.

 We hereby acknowledge that part(s) of this computation was performed on the HPC(High Performance Computing) center of Ferdowsi University Of Mashhad.

      ردیف          مشخصات مقاله
  1    

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

       1  Mohammad Khavani, Mohammad Izadyar and Mohammad Reza Housaindokht

       1  Physical Chemistry Chemical Physics, ( ISI ), Volume (17), No (1), Year (2015-9) , Pages (25536-25549)

  2    

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

    1 ‎ ‎Mohammad Khavani, Mohammad Izadyar and Mohammad Reza Housaindokht

      1  Sensors and Actuators B: Chemical, ( ISI ), Volume (221), No (16), Year (2015-8) , Pages (1120-1129)

  3  

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

       1  Mohammad Khavani, Mohammad Izadyar and Mohammad Reza Housaindokht

       1  Journal of Physical Chemistry A, ( ISI ), Volume (121), No (1), Year (2017-1) , Pages (244-255)
4

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

       1  Hossein Sabet-Sarvestani , Hossein Eshghi , Mohammad Izadyar

       1  RSC Advances, ( ISI ), Volume (7), No (1), Year (2017-1) , Pages (1701-1710)
5  

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

       1  Hossein Sabet-Sarvestani , Hossein Eshghi , Mohammad Izadyar

       1  Structural Chemistry, ( ISI ), Volume (27), No (3), Year (2017-6) , Pages (675-686)
6  

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

       1  Mojtaba Rezaeyan , Mohammad Izadyar

       1  Journal of Molecular Liquids, ( ISI ), Volume (224), No (1), Year (2016-10) , Pages (460-6465)
7  

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

       1  Nazanin noroozi shad , Mostafa Gholizadeh , Mohammad Izadyar

       1  Physical Chemistry Research, Volume (4), No (3), Year (2016-9) , Pages (427-440)
  8  

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

       1  Hossein Sabet-Sarvestani , Hossein Eshghi , Mohammad Izadyar , Mehdi Bakavoli

       1  Journal of Inclusion Phenomena and Macrocyclic Chemistry, ( ISI ), Volume (85), No (220), Year (2016-5) , Pages (237-246)
  9  

Modeling for thermal Augmentation of Turbulent Flow in a Circular Tube Fitted With Twisted Conical Strip Inserts

       1  Mahdi Pourramezan , Hossein Ajam

       1  Applied Thermal Engineering, ( ISI ), Volume (105), No (7), Year (2016-7) , Pages (509-518)
10

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

       1  Aliyeh Mehranfar , Mohammad Izadyar

       1  RSC Advances, ( ISI ), Volume (5), No (1), Year (2015-6) , Pages (49159-49167)
 11

Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic

       1  Ramesh Kheirabadi , Mohammad Izadyar

       1  Journal of Physical Chemistry A, ( ISI ), Volume (120), No (51), Year (2016-12) , Pages (10108-10115)
 12

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

       1  Mohammad Izadyar, Mohammad Khavani Sariani, Mohammad Reza Housaindokht

       1  Journal of Physical Chemistry A, ( ISI ), Volume (121), No (1), Year (2017-1) , Pages (244-255)
 13

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

       1  Aliyeh Mehranfar , Mohammad Izadyar

       1  RSC Advances, ( ISI ), Volume (5), No (1), Year (2015-6) , Pages (49159-49167)
14

Glucose Derivatives Substitution and Cyclic peptide Diameter Effects on the Stability of the Self-Assembled Cyclic Peptide Nanotubes; a Joint QM/MD Study

       1  Mohammad Khavani Sariani, Mohammad Izadyar, Mohammad Reza Housaindokht

       1  Journal of Molecular Graphics and Modelling, Volume (71), No (2017), Year (2016-11) , Pages (28-39)
15

Synthesis and density functional theory study of [1,2,3]triazolo[4,5-d][1,2,4] triazolo[4,3-a]pyrimidine derivatives: A novel heterocyclic system

       1  sarina sadat mozafari , Ali Shiri , Mehdi Bakavoli , marzieh akbarzadeh , Kayvan Saadat , yasaman etemadi

       1  Journal of Chemical Research, ( ISI ), Volume (40), No (10), Year (2016-10) , Pages (633-636)
16

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

       1  Hossein Sabet-Sarvestani, Hossein Eshghi, Mohammad Izadyar, Mehdi Bakavoli, N. Noroozi Shad, F. Ziaee

       1  Journal of Chemical Research, ( ISI ), Volume (39), No (11), Year (2015-11) , Pages (635-639)
17

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

       1  Foroogh Arkan , Mohammad Izadyar , Ali Nakhaei Pour

       1  Molecular Physics, ( ISI ), Volume (113), No (23), Year (2015-7) , Pages (3815-3825)
18

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

       1  Mohammad Khavani Sariani, Mohammad Izadyar

       1  Physical Chemistry Research, Volume (5), No (3), Year (2017-9) , Pages (425-437)
 19

Molecular Dynamics Study of Complex Dopant Electrolyte Nd2–xHoxZr2O7: Structure, Conductivity, and Thermal Expansion

       1  Mohammad razmkhah, Mohammad Taghi Hamed Mosavian, Fatemeh Moosavi

       1  Fuel Cells, ( ISI ), Volume (13), No (6), Year (2013-12) , Pages (1048-1055)
20

A 2D numerical study on suppressing liquid sloshing using a submerged cylinder

       1  Aghil Iranmanesh, Mohammad Passandideh Fard

       1  Ocean Engineering, ( ISI ), Volume (138), No (1), Year (2017-4) , Pages (55-72)

21

Magnetic effects on the solvent properties investigated by molecular dynamics simulation

       1  Fatemeh Moosavi, Mostafa Gholizadeh

       1  Journal of Magnetism and Magnetic Materials, ( ISI ), Volume (354), No (1), Year (2013-12) , Pages (239-247)
22

Nd2-xGdxZr2O7 electrolytes: Thermal expansion and effect of temperature and dopant concentration on ionic conductivity of oxygen

       1  Mohammad razmkhah, Mohammad Taghi Hamed Mosavian, Fatemeh Moosavi

       1  International Journal of Hydrogen Energy, ( ISI ), Volume (39), No (16), Year (2014-5) , Pages (8437-8448)
23

Molecular dynamics simulation study: The reactivation of NaX zeolitecontaminated by bi and tri aromatics using supercritical fluidextraction

       1  Masoud Haghighi Asl, Fatemeh Moosavi, Javad Sargolzaei

       1  Journal of Supercritical Fluids, ( ISI ), Volume (112), No (1), Year (2016-3) , Pages (103-113)
24

Structural and transport properties and solubility parameter of graphene/glycerol nanofluids: A molecular dynamics simulation study

       1  Monireh Barati Moghadam, Elaheh Kafshdare Goharshadi, Fatemeh Moosavi

       1  Journal of Molecular Liquids, ( ISI ), Volume (222), No (10), Year (2016-7) , Pages (82-87)
25

Glycerol revisited molecular dynamic simulations of structural, dynamical, and thermodynamic properties

       1  Monireh Barati Moghadam, Elaheh Kafshdare Goharshadi, Fatemeh Moosavi

       1  Journal of the Iranian Chemical Society, ( ISI ), Volume (14), No (1), Year (2016-8) , Pages (1-7)
26

Molecular Dynamics Simulation Study: The Decryption of Bi and Tri Aromatics Behavior with NaX Zeolite

       1  Masoud Haghighi Asl, Fatemeh Moosavi, Javad Sargolzaei, Kh. Sharifi

       1  Journal of Molecular Graphics and Modelling, Volume (69), No (1), Year (2016-8) , Pages (61-71)
27

Molecular dynamics simulation of amino acid ionic liquids near a graphene electrode: effects of alkyl side-chain length

       1  behnoosh sadeghi, Mohammad Razmkhah, Mohammad Taghi Hamed Mosavian, Fatemeh Moosavi

       1  Physical Chemistry Chemical Physics, ( ISI ), Volume (18), No (48), Year (2016-11) , Pages (33053-33067)
28

Modeling for thermal Augmentation of Turbulent Flow in a Circular Tube Fitted With Twisted Conical Strip Inserts

       1  Mahdi Pourramezan, Hossein Ajam

       1  Applied Thermal Engineering, ( ISI ), Volume (105), No (7), Year (2016-7) , Pages (509-518)
29

Comparison Between Two Different Computational Schemes for Stress Constraint in Topology Optimization

         1  Nima Yaghoobi, Habib Saffar Najib, Behrooz Hassani

       1 25th International Conference on Mechanical Engineering, 2017-05-04