Search Results - "Maziar Noei"

Effect of Et2Zn on Binding Spike Protein of SARS-Cov-2 and ACE2 from Cell Membrane by Maziar Noei, Karamjavan, Mahsa Mahmoudi, Sefidan, Alireza Monadi

“…Corona virus’s connection to the cell is through spike protein to ACE2 from cell membrane. This connection was modeled using Density Functional Theory (DFT)…”
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Theoretical study of the catalytic effect of TM-CmHm (TM = Cr, Mn, Sc, Ti, V, and m = 4, 5) on the activation of oxygen at the cathode and methane at the anode in the fuel cell reaction “CH4–O2”: a DFT study by Khalkhali, Maryam, Aghaie, Mehran, Noei, Maziar, Aghaie, Hossein

“…The use of platinum metal (Pt) as a catalyst is common in fuel cells. Much research has been conducted to replace this precious metal for reducing the costs…”
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The Novel Catalytic Effect of TM-CmHm (TM = Cr, SC, Ti, V and m = 4, 5) Activation of Oxygen at the Cathode and N2H4 at the Anode in the Fuel Cell N2H4 –O2: A DFT Study by Ahmadmahmodi, Zohreh Mohammadi, Noei, Maziar, Aghaie, Mehran, Aghaie, Hossein

“…Platinum and the metals of similar row in pure or composite form are widely used as catalysts in the reaction of fuel cells. This work explored the catalytic…”
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The Effect of Organometallic Compounds and “Oxygen–Methane” Fuel Cell: A DFT Study by Khalkhali, Maryam, Aghaie, Mehran, Noei, Maziar, Aghaie, Hossein

“…Platinum (Pt) is used as a catalyst in most fuel cells, but the use of this metal is limited with the increasing advancement in fuel cell technology…”
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The Catalytic Effect of Organometallic Compounds on Oxygen-Hydrazine Fuel Cell: A DFT Study by Ahmadmahmodi, Zohreh Mohammadi, Aghaie, Mehran, Noei, Maziar, Aghaie, Hossein

“…The interesting areas of research is fuel cells, where the role of catalytic action in the cathode and anode is of interest. In this research, using density…”
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Theoretical study of the catalytic effect of TM-C4H4 and TM-C5H5 (TM = Cr, Ti, V, Sc) on the activation of O2 at the cathode and CH3OH at the anode in “CH3OH-O2″ fuel cell via DFT computational method by Nasim Rahnama, Seyedeh, Aghaie, Mehran, Noei, Maziar, Aghaie, Hossein

“…The study of the interaction of oxygen molecule with organometallic compounds containing transition metals has always been an interesting subject for research,…”
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Ethyl benzene detection by BN nanotube: DFT studies by Noei, Maziar, Ahmadaghaei, Nastaran, Salari, Ali Akbar

“…Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward ethyl benzene (C8H10) molecule by using density functional theory (DFT)…”
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Solvatochromic Effect and Spectral Study on Activity of Anti-Cancer Drug Mercaptopurine in Green Solvents by Karamjavan, Mahsa Mahmoudi, Zare, Karim, Sefida, Alireza Monadi, Noei, Maziar, Farajtabar, Ali

“…Mercaptopurine and mercaptopurine/calixarene complex, undergoes solvatochromic phenomenon due to their aromatic rings. Their solvatochromic behaviors in 20…”
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New structure-based models for the prediction of normal boiling point temperature of ternary azeotropes by Faramarzi, Zohreh, Abbasitabar, Fatemeh, Jahromi, Jalali, Noei, Maziar

“…Recently, development of the QSPR models for mixtures has received much attention. The QSPR modelling of mixtures requires the use of the appropriate mixture…”
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Thermodynamic Studies on Calixarene Nanoparticles As a Carrier and Adsorbent of Mercaptopurine Anticancer Drug in Drug Delivery Using Experimental Methods by Karamjavan, Mahsa Mahmoudi, Zare, Karim, Sefidan, Alireza Monadi, Noei, Maziar, Farajtabar, Ali

“…Calix[4]arene refers to a group of large cyclic compounds involving a sequence of phenols, which are obtained through the hydroxylation reaction process of…”
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Enhanced gas permeation performance of mixed matrix membranes containing polysulfone and modified mesoporous MCM-41 by Abbasi, Kololi, Tabatabaei, Qomsheh, Noei, Maziar, Saberi, Masoud

“…The aim of this study was the development of mixed matrix membranes (MMMs) based on silica MCM-41 dispersed in polysulfone (PSf) for the separation of carbon…”
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Design of methyldopa structure and calculation of its properties by quantum mechanics by Noei, Maziar, Holoosadi, Marziyeh, Anaraki-Ardakani, Hossein

“…Methyldopa, which released in 1960, is one of the most popular blood pressure lowering drugs. Taking this medicine for high blood pressure, it seems that the…”
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Adsorption of Phosphine on a BN Nanosurface by Sahar Mohajeri, Maziar Noei, Ali Akbar Salari, Zeynab Hoseini, Nastaran Ahmadaghaei, Nazanin Molaei

“…Electrical sensitivity of a Boron Nitride Nano Sheet (BNNS) to phosphine (PH3) molecule is studied using Density Functional Theory (DFT) calculations at the…”
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Cyanogen, Methylacetylene, Hydroquinone, Ethylacetylene, Aniline, Pyrrole, and Ethanol Detection by Using BNNT: DFT Studies by Sahar Mohajeri, Maziar Noei, Nazanin Molaei

“…Electrical sensitivity of a Boron Nitride Nano Tube (BNNT) was examined toward hydroquinone (C6H4(OH)2), cyanogens (C2N2), methylacetylene (C3H4),…”
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Adsorption properties of CH3COOH on (6,0), (7,0), and (8,0) zigzag, and (4,4), and (5,5) armchair single-walled carbon nanotubes: A density functional study by Noei, Maziar, Salari, Ali-Akbar, Madani, Mahsa, Paeinshahri, Mina, Anaraki-Ardakani, Hossein

“…The behaviour of CH3COOH molecule adsorbed on the external surface of H-capped (6,0), (7,0), and (8,0) zigzag, and (4,4), and (5,5) armchair single-walled…”
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The ab initio study and NBO interpretation of solvent effects on the structural stability and the chemical reactivity of penicillin-V conformations by Salari, Ali Akbar, Talebi Tari, Mostafa, Noei, Maziar, Tahan, Arezoo

“…Quantum mechanics (QM) methods were used to examine the electronic structure and the relative stability of penicillin-V (PV) conformations in the gas phase and…”
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Adsorption of Aniline Toxic Gas on a BeO Nanotube by Sahar Mohajeri, Mina Kamani, Ali Akbar Salari, Maziar Noei, Maryam Ebrahimikia, Nastaran Ahmadaghaei, Nazanin Molaei

“…Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward aniline (C6H5 NH2) molecule by using Density Functional Theory (DFT)…”
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DFT study on the sensitivity of open edge graphene toward CO2 gas by Noei, Maziar

“…We investigated the sensitivity and reactivity of open edge zigzag and armchair graphene slabs toward CO2 gas, using density functional theory calculations…”
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Different electronic sensitivity of BN and AlN nanoclusters to SO2 gas: DFT studies by Noei, Maziar

“…Density functional theory calculations are used to investigate the electronic and structural behavior of a pristine Al12N12 and B12N12 nanoclusters to sulfur…”
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Density Functional Study of the Adsorption of Methanol and its Derivatives on Boron Nitride Nanotubes by Ali Ahmadi Peyghan, Maziar Noei

“…Changes in the structural and electronic properties of chemically modified boron nitride nanotubes (BNNTs) using methanol and its derivatives including CH 3 CH…”
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