| Theoretical study of the inclusion complexes of α and β-cyclodextrins with decyltrimethylammonium bromide (DTAB) and tetradecyltrimethylammonium bromide (TTAB) AA Rafati, SM Hashemianzadeh, ZB Nojini, MA Safarpour Journal of molecular liquids 135 (1-3), 153-157, 2007 | 70 | 2007 |
| 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 | 54 | 2013 |
| Canonical Monte Carlo simulation of adsorption of O2 and N2 mixture on single walled carbon nanotube at different temperatures and pressures AA Rafati, SM Hashemianzadeh, ZB Nojini, N Naghshineh Journal of computational chemistry 31 (7), 1443-1449, 2010 | 44 | 2010 |
| Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane Z Mahdavifar, M Haghbayan Applied Surface Science 263, 553-562, 2012 | 39 | 2012 |
| Preference prediction for the stable inclusion complex formation between cucurbit [n= 5–7] urils with anticancer drugs based on platinum (II): Computational study ZB Nojini, F Yavari, S Bagherifar Journal of Molecular Liquids 166, 53-61, 2012 | 37 | 2012 |
| 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 | 36 | 2018 |
| Theoretical prediction of ozone sensing using pristine and endohedral metalloboron B80 fullerenes Z Mahdavifar, M Poulad Sensors and Actuators B: Chemical 205, 26-38, 2014 | 36 | 2014 |
| Theoretical prediction of encapsulation and adsorption of platinum-anticancer drugs into single walled boron nitride and carbon nanotubes Z Mahdavifar, R Moridzadeh Journal of Inclusion Phenomena and Macrocyclic Chemistry 79, 443-457, 2014 | 36 | 2014 |
| Electronic properties of adsorption nitrogen monoxide on inside and outside of the armchair single wall carbon nanotubes: a density functional theory calculations AA Rafati, SM Hashemianzadeh, ZB Nojini The Journal of Physical Chemistry C 112 (10), 3597-3604, 2008 | 32 | 2008 |
| The influence of Cu-doping on aluminum nitride, silicon carbide and boron nitride nanotubes’ ability to detect carbon dioxide; DFT study Z Mahdavifar, N Abbasi Physica E: Low-dimensional Systems and Nanostructures 56, 268-276, 2014 | 31 | 2014 |
| Four-coordinate and pseudo five-coordinate Hg (II) complexes of a new bidentate phosphorus ylide: X-ray crystal structure and spectral characterization SJ Sabounchei, S Samiee, S Salehzadeh, ZB Nojini, E Irran Journal of Organometallic Chemistry 695 (10-11), 1441-1450, 2010 | 30 | 2010 |
| Evaluation of photovoltaic properties and effective conjugated length of DTTTD-based polymers as donor in BHJ solar cells; quantum chemical approach A Ostovan, Z Mahdavifar, M Bamdad Polymer 126, 162-176, 2017 | 26 | 2017 |
| Synthesis, characterization, and structural studies of mercury (II) complexes of new bidentate phosphorus ylide SJ Sabounchei, S Samiee, S Salehzadeh, M Bayat, ZB Nojini, ... Inorganica Chimica Acta 363 (6), 1254-1261, 2010 | 26 | 2010 |
| Effect of the adsorption of oxygen on electronic structures and geometrical parameters of armchair single-wall carbon nanotubes: A density functional study AA Rafati, SM Hashemianzadeh, ZB Nojini Journal of colloid and interface science 336 (1), 1-12, 2009 | 26 | 2009 |
| A comparative DFT study on prospective application of C24, Si12C12, B12N12, B12P12, Al12N12, and Al12P12 nanoclusters as suitable anode materials for magnesium-ion batteries (MIBs) E Shakerzadeh, H Mirzavand, Z Mahdavifar Physica E: Low-dimensional Systems and Nanostructures 140, 115161, 2022 | 25 | 2022 |
| CdInGaS4: An unexplored two-dimensional materials with desirable band gap for optoelectronic devices Z Mahdavifar, F Shojaei Journal of Alloys and Compounds 854, 157220, 2021 | 24 | 2021 |
| Synthesis of New Phosphorus Ylides: Spectroscopic and X-ray Structural Studies ZBN S.J. Sabounchei, P. Shahriary, S. Salehzadeh, M. Bayat Heteroatom Chemistry 21, 475, 2010 | 23 | 2010 |
| Stability prediction of pristine and metal endohedral borofullerenes: Computational approach Z Mahdavifar, M Poulad Journal of Molecular Liquids 219, 1144-1156, 2016 | 22 | 2016 |
| Evolutionary search for (M© B 16) Q (M= Sc–Ni; Q= 0/− 1) clusters: bowl/boat vs. tubular shape Z Mahdavifar, F Shojaei Physical Chemistry Chemical Physics 21 (40), 22618-22628, 2019 | 21 | 2019 |
| Biogas production from sugarcane vinasse at mesophilic and thermophilic temperatures by static granular bed reactor (SGBR) MKD Kiani, M Parsaee, Z Mahdavifar Sustainable Energy Technologies and Assessments 48, 101569, 2021 | 20 | 2021 |
Sepideh SamieeAssociate Professor of Inorganic Chemistry, Shahid Chamran University of AhvazVerified email at scu.ac.ir
