| Shannon entropy as a new measure of aromaticity, Shannon aromaticity S Noorizadeh, E Shakerzadeh Physical Chemistry Chemical Physics 12 (18), 4742-4749, 2010 | 180 | 2010 |
| Theoretical assessment of the electro-optical features of the group III nitrides (B12N12, Al12N12 and Ga12N12) and group IV carbides (C24, Si12C12 and Ge12C12) nanoclusters … E Tahmasebi, E Shakerzadeh, Z Biglari Applied Surface Science 363, 197-208, 2016 | 90 | 2016 |
| Adsorption and possible dissociation of glucose by the [BN fullerene-B6]− magnetic nanocomposite. In silico studies EC Anota, MS Villanueva, E Shakerzadeh, M Castro Applied Nanoscience 8, 455-465, 2018 | 87 | 2018 |
| Formaldehyde adsorption on pristine, Al-doped and mono-vacancy defected boron nitride nanosheets: a first principles study S Noorizadeh, E Shakerzadeh Computational materials science 56, 122-130, 2012 | 84 | 2012 |
| M@ B40 (M= Li, Na, K) serving as a potential promising novel NLO nanomaterial E Shakerzadeh, Z Biglari, E Tahmasebi Chemical Physics Letters 654, 76-80, 2016 | 77 | 2016 |
| Effect of homonuclear boron bonds in the adsorption of DNA nucleobases on boron nitride nanosheets ADO Muñoz, A Escobedo-Morales, E Skakerzadeh, EC Anota Journal of Molecular Liquids 322, 114951, 2021 | 72 | 2021 |
| A new scale of electronegativity based on electrophilicity index S Noorizadeh, E Shakerzadeh The Journal of Physical Chemistry A 112 (15), 3486-3491, 2008 | 72 | 2008 |
| A comparative theoretical study on the structural, electronic and nonlinear optical features of B12N12 and Al12N12 nanoclusters with the groups III, IV and V dopants E Shakerzadeh, N Barazesh, SZ Talebi Superlattices and Microstructures 76, 264-276, 2014 | 67 | 2014 |
| Theoretical assessment of phosgene adsorption behavior onto pristine, Al-and Ga-doped B12N12 and B16N16 nanoclusters E Shakerzadeh, E Khodayar, S Noorizadeh Computational Materials Science 118, 155-171, 2016 | 51 | 2016 |
| A comparative theoretical study of CO2 sensing using inorganic AlN, BN and SiC single walled nanotubes Z Mahdavifar, N Abbasi, E Shakerzadeh Sensors and Actuators B: Chemical 185, 512-522, 2013 | 49 | 2013 |
| A first principles study of pristine and Al-doped boron nitride nanotubes interacting with platinum-based anticancer drugs E Shakerzadeh, S Noorizadeh Physica E: Low-dimensional Systems and Nanostructures 57, 47-55, 2014 | 46 | 2014 |
| The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides S Larki, E Shakerzadeh, EC Anota, R Behjatmanesh-Ardakani Chemical Physics 526, 110424, 2019 | 41 | 2019 |
| B12N12 cluster as a collector of noble gases: A quantum chemical study R Pino-Rios, E Chigo-Anota, E Shakerzadeh, G Cárdenas-Jirón Physica E: Low-dimensional Systems and Nanostructures 115, 113697, 2020 | 39 | 2020 |
| Acetylsalicylic acid interaction with Boron nitride nanostructures–A density functional analysis MCF Bautista, D Cortés-Arriagada, E Shakerzadeh, EC Anota Journal of Molecular Liquids 355, 118980, 2022 | 38 | 2022 |
| A quantum chemical study on the remarkable nonlinear optical and electronic characteristics of boron nitride nanoclusters by complexation via lithium atom E Shakerzadeh, E Tahmasebi, Z Biglari Journal of Molecular Liquids 221, 443-451, 2016 | 38 | 2016 |
| Aromaticity study on tria-, penta-and hepta-fulvene derivatives S Noorizadeh, E Shakerzadeh computational and theoretical Chemistry 964 (1-3), 141-147, 2011 | 35 | 2011 |
| Quantum chemical assessment of the adsorption behavior of fluorouracil as an anticancer drug on the B36 nanosheet E Shakerzadeh Journal of Molecular Liquids, 2017 | 34 | 2017 |
| Ngn (Ng= Ne, Ar, Kr, Xe, and Rn; n= 1, 2) encapsulated porphyrin-like porous C24N24 fullerene: a quantum chemical study H Parsa, E Shakerzadeh, EC Anota Journal of Molecular Graphics and Modelling 108, 107986, 2021 | 32 | 2021 |
| Theoretical approach into potential possibility of efficient NO2 detection via B40 and Li@ B40 fullerenes Z Maniei, E Shakerzadeh, Z Mahdavifar Chemical Physics Letters 691, 360-365, 2018 | 32 | 2018 |
| Efficient carriers for anticancer 5-fluorouracil drug based on the bare and M− encapsulated (M= Na and Ca) B40 fullerenes; in silico investigation E Shakerzadeh Journal of Molecular Liquids 343, 116970, 2021 | 31 | 2021 |
Zabiollah MahdavifarProfessor of Computational Chemistry, Shahid Chamran University of AhvazVerified email at scu.ac.ir
