Zabiollah Mahdavifar
Zabiollah Mahdavifar
Professor of Computational Chemistry, Shahid Chamran University of Ahvaz
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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
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
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
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
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
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
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
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
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
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
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
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
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
Stability prediction of pristine and metal endohedral borofullerenes: Computational approach
Z Mahdavifar, M Poulad
Journal of Molecular Liquids 219, 1144-1156, 2016
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
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
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
New mononuclear mercury (II) complexes of a bifunctionalized ylide containing five-membered chelate ring: Spectral and structural characterization
SJ Sabounchei, S Samiee, S Salehzadeh, ZB Nojini, M Bayat, E Irran, ...
Inorganica Chimica Acta 363 (14), 3654-3661, 2010
Predicting helium and neon adsorption and separation on carbon nanotubes by Monte Carlo simulation
Z Bolboli Nojini, A Abbas Rafati, S Majid Hashemianzadeh, S Samiee
Journal of molecular modeling 17, 785-794, 2011
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
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