Follow
Zabiollah Mahdavifar
Zabiollah Mahdavifar
Professor of Computational Chemistry, Shahid Chamran University of Ahvaz
Verified email at scu.ac.ir
Title
Cited by
Cited by
Year
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
622007
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
492013
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
412010
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
362012
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
362012
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
342014
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
342014
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
322018
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
292010
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
292008
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
252014
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
252010
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
252009
Stability prediction of pristine and metal endohedral borofullerenes: Computational approach
Z Mahdavifar, M Poulad
Journal of Molecular Liquids 219, 1144-1156, 2016
222016
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
212021
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
192019
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
192017
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
192010
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
172011
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
162010
The system can't perform the operation now. Try again later.
Articles 1–20