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All papers authored by Ali Shokuhi Rad

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2021 Y. Sheena Mary, Y. Shyma Mary, Rohitash Yadav

, Ismail Celik, Ali Shokuhi Rad

, S. Sarala

MD, DFT Investigations and Inhibition of the Novel SARS- CoV-2 Mainprotease in Three Cocrystals of Hydrochloro- thiazide

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2019 Rahman Padash, Mehdi Rahimi-Nasrabadi, Ali Shokuhi Rad

, Ali Sobhani-Nasab, Teofil Jesionowski, Hermann Ehrlich

A theoretical study of two novel Schiff bases as inhibitors of carbon steel corrosion in acidic medium

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2018 Rahman Padash, Mehdi Rahimi-Nasrabadi, Ali Shokuhi Rad

, A. Sobhani-Nasab, Teofil Jesionowski, Hermann Ehrlich

A Comparative Computational Investigation of Phosgene Adsorption on (XY)12 (X = Al, B and Y = N, P) Nanoclusters: DFT Investigations

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Mitra Sherafati, Ali Shokuhi Rad

, Mehdi Ardjmand, Amir Heydarinasab, Majid Peyravi

, Mahmoud Mirzaei

Beryllium oxide (BeO) nanotube provides excellent surface towards adenine adsorption: A dispersion-corrected DFT study in gas and water phases

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R. Padash, A. Sobhani-Nasab, M. Rahimi-Nasrabadi, M. Mirmotahari, H. Ehrlich

, A. S. Rad

, M. Peyravi

Is it possible to use X12Y12 (X = Al, B, and Y = N, P) nanocages for drug-delivery systems? A DFT study on the adsorption property of 4-aminopyridine drug

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Daryoush Zareyee

, Ali Shokuhi Rad

, Zahra Ataei, Sayed Hossein Javadi, Mohammad A. Khalilzadeh

Three-component solventless Strecker synthesis of α-aminonitriles catalysed by a renewable sulfonated nanoporous carbon catalyst (CMK-5-SO3 H): Heterogeneous catalyst

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Ali Shokuhi Rad

, Sadegh Mehdi Aghaei

Potential of metal–fullerene hybrids as strong nanocarriers for cytosine and guanine nucleobases: A detailed DFT study

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This paper is made freely available by the publisher.

2017 Ali Shokuhi Rad

, Samaneh Bagheri Novir, Soheil Mohseni, Nadia Ramezani Cherati, Ali Mirabi

A DFT study of O2 and Cl2 adsorption onto Al12 N12 fullerene-like nanocluster

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Ali Shokuhi Rad

, Sadegh Mehdi Aghaei

, Elahe Aali, Majid Peyravi

Study on the electronic structure of Cr- and Ni-doped fullerenes upon adsorption of adenine: A comprehensive DFT calculation

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Ali Shokuhi Rad

Chemisorption of BH3 and BF3 on aluminum nitride nanocluster: quantum-chemical investigations

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Mohammad Kazemi, Ali Shokuhi Rad

Sulfur mustard gas adsorption on ZnO fullerene-like nanocage: Quantum chemical calculations

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A. Shokuhi Rad

Functionalization of MWCNT by –SO3H and –COOH Groups and Their Application as Solid Acidic Catalysts for Esterification of Waste Chicken Fat

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Ali Shokuhi Rad

, Emad Sani, Ehsan Binaeian, Majid Peyravi, Mohsen Jahanshahi

DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

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Ali Shokuhi Rad

Study of dimethyl ester interaction on the surface of Ga-doped graphene: Application of density functional theory

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Mohammad Khajouei, Mohsen Jahanshahi, Majid Peyravi

, Hamzeh Hoseinpour, Ali Shokuhi Rad

Anti-bacterial assay of doped membrane by zero valent Fe nanoparticle via in-situ and ex-situ aspect

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2016 Sara Gholami, Ali Shokuhi Rad

, Amir Heydarinasab, Mehdi Ardjmand

Adsorption of adenine on the surface of nickel-decorated graphene; A DFT study

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Ali Shokuhi Rad

, Samaneh Alijantabar Aghouzi, Nazanin Motaghedi, Sina Maleki, Majid Peyravi

Theoretical study of chemisorption of cyanuric fluoride and S-triazine on the surface of Al-doped graphene

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A. Shokuhi Rad

, D. Zareyee, V. Pouralijan Foukolaei, B. Kamyab Moghadas, M. Peyravi

Study on the electronic structure of Al12N12 and Al12P12 fullerene-like nano-clusters upon adsorption of CH3F and CH3Cl

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Ali Shokuhi Rad

Study on the surface interaction of Furan withX12Y12(X = B, Al, andY = N, P) semiconductors: DFT calculations

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Vahid Poralijan, Ali Shokuhi Rad

Extraction of Eugenol from Carnation: A Quantitative and Qualitative Analysis by Aqueous and Ethanolic Solvents

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All papers authored by Ali Shokuhi Rad