2026/4/20
فارسی
Khaled Azizi

Khaled Azizi

Academic rank: Associate Professor
ORCID:
Education: PhD.
H-Index:
Faculty: Faculty of Science
ScholarId:
E-mail: khaled.azizi [at] uok.ac.ir
ScopusId: View
Phone:
ResearchGate:
Home

Research activities

Journal Papers
Insight into 1:1 complexes of H2O with NF3 and CF2Cl2: a quantum chemical approach Nazila Abdi, Abdolvahab Seif, Khaled Azizi, Moein Goodarzi, Alimorad Rashidi (2020) JOURNAL OF CHEMICAL SCIENCES: 132; 52
Theoretical study of adsorption of ethanol and acetone molecules by perfect and defected h-BN nanosheet Reyhan Omidirad, Khaled Azizi (2020) SUPERLATTICES AND MICROSTRUCTURES: 139; 106403-...
DFT study of charge-controlled mechanism of water molecule dissociation on vacancy defected boron nitride nanosheets Reyhan Omidirad, Khaled Azizi (2019) JOURNAL OF MOLECULAR GRAPHICS & MODELLING: 93; 107448-...
Theoretical insight into a feasible strategy of capturing, storing and releasing toxic HCN at the surface of doped BN-sheets by charge modulation Abdolvahab Seif, Alimorad Rashidi, steve scheiner, Khaled Azizi, tapas kar (2019) Applied Surface Science: 496; 143714-...
Investigation of benzodiazepines (BZDs) in a DPPC lipid bilayer: Insights from molecular dynamics simulation and DFT calculations Mokhtar Ganjali Koli, Khaled Azizi (2019) JOURNAL OF MOLECULAR GRAPHICS & MODELLING: 90; 171-179
Copper–birhodanine complex immobilized on Fe3O4 nanoparticles: DFT studies and heterogeneous catalytic applications in the synthesis of propargylamines in aqueous medium manochehr Rezaei, Khaled Azizi, Kamal amani (2018) APPLIED ORGANOMETALLIC CHEMISTRY: 32; 1-9
Adsorption and growth of palladium clusters on graphdiyne Abdolvahab Seif, M. L. Lopez, A. Granja-DelRío, Khaled Azizi, Julio A. Alonso (2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS: 19; 1994-19102
The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation Mokhtar Ganjali Koli, Khaled Azizi (2016) MOLECULAR MEMBRANE BIOLOGY: 33; 64-75
A new strategy for hydrogen storage using BNNS: simultaneous effects of doping and charge modulation Abdolvahab Seif, Khaled Azizi (2016) RSC advances: 6; 58458–58468
Effect of phenolic radicals on the geometry and electronic structure of DNA base pairs: computational study Mohammad Zarei, Abdolvahab Seif, Khaled Azizi, Mohanna Zarei, Jamil Bahrami (2016) INTERNATIONAL JOURNAL OF MODERN PHYSICS C: 27; 1650119-1-1650119-17
Molecular dynamics simulations of Oxprenolol and Propranolol in aDPPC lipid bilayer Khaled Azizi, Mokhtar Ganjali Koli (2016) JOURNAL OF MOLECULAR GRAPHICS & MODELLING: 64; 153–164
Charge-controlled switchable methane adsorption on heteroatom-doped BNNSs Abdolvahab Seif, Khaled Azizi (2016) RSC advances: 6; 5079–5088
Methane storage on aluminum-doped single wall BNNTs Khaled Azizi, Kobra Salabat, Abdolvahab Seif (2014) Applied Surface Science: 309; 54-61
Computational study of Al- or P-doped single-walled carbon nanotubes as NH3 and NO2 sensors Khaled Azizi, Mohammad KarimPanah (2013) Applied Surface Science: 285; 102-109
Ab initio study of 1:1 complexes of nitrogen trifluoride with nitrous oxide and carbon dioxide in vacuo Abdolvahab Seif, Ramin Bagherzadeh, Moein Goodarzi, Khaled Azizi (2013) JOURNAL OF CHEMICAL SCIENCES: 125; 1277-1284
A DFT study on the interaction between adsorbed silver on C60 and disulfide bond Khaled Azizi, Ali SohrabiNiya (2012) JOURNAL OF MOLECULAR GRAPHICS & MODELLING: 38; 354-359
Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes Khaled Azizi, Seyed Majid Hashemianzadeh, Shariyar Bahrami far (2011) CURRENT APPLIED PHYSICS: 11; 776-782
The Heat of Vaporization and Nanocavity Formation Khaled Azizi, Asadollah Nasehzadeh (2009) Journal of the Iranian Chemical Society: 6; 230-242
DFT-based QSAR study of alkanols and alkanthiols using the conductor-like polarizable continuum model (CPCM) Khaled Azizi, Mohammad ali Safarpoor, Maryam Kaykhae, Ahmad Reza Mahdipour (2009) JOURNAL OF MOLECULAR MODELING: 15; 1509-1515
The Heat of Vaporization and Hard Sphere Diameters From Cavity Formation Energies Asadollah Nasehzadeh, Khaled Azizi (2003) JOURNAL OF MOLECULAR STRUCTURE: 638; 197-207
The effect of temperature on the Lennard–Jones (6–12) pair potential function Asadollah Nasehzadeh, M. Mohseni, Khaled Azizi (2002) JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM: 589; 329-335
Conference Papers
Adsorption and Growth of Palladium Clusters on Graphdiyne Abdolvahab Seif, M. L. Lopez, A. Granja-DelRío, Khaled Azizi, Julio A. Alonso (2017)
Simulation of Clonazepam and Diazepam in DPPC membrane: Investigation of the movement Khaled Azizi, Mokhtar Ganjali Koli (2017)
Al-doped BNNS: A Promising Material for H2S Adsorption Abdolvahab Seif, Khaled Azizi (2017)
Insight into the Complexes Formed between CF2Cl2 and HCX (X=N and P): A Computational Study Khaled Azizi, Abdolvahab Seif, Nazila Abdi (2014)
Theoretical Evaluation of the Complexes of NF3 with H2O in Gas Phase Nazila Abdi, Khaled Azizi, Abdolvahab Seif (2014)
Conformational Analysis and Intramolecular Bond Strength of Complexes of C6H5NH+ with AT Set: A Quantum Chemical Investigation Maryam Malmir, Khaled Azizi, Abdolvahab Seif (2014)
Quantum Chemistry Aspects of Complexes of C6H5NH2 with GC Set from DFT Point of View Khaled Azizi, Abdolvahab Seif, Maryam Malmir (2014)
Theoretical Study on the Competition between Hydrogen and Lithium Bonding versus Halogen Bonding in Pyridine(N)…XCN…(LiOH) Complexes (X = Cl, Br) Khadijeh Sabzitoomaraghaj, Khaled Azizi, Abdolvahab Seif (2014)
Cooperativity between Halogen Bonding and Lithium Bonding in Pyridine(N)…ClCN…LiOH Complex: Investigation of Substituent Effects Khaled Azizi, Abdolvahab Seif, Khadijeh Sabzitoomaraghaj (2014)
First- principal study of hydrogen storage on AgC60 ABDI fahimeh, Khaled Azizi (2013)
First principal study on the adsorption of Cu, Mo, Y and Zr on the outer surface of fullerene C60 rasoli sabah, Khaled Azizi (2013)
Amino-functionalized single-walled carbon nanotubes as a novel adsorbent for aqueous heavy metals removal: DFT study Khaled Azizi, shahmohammadi fatemeh (2013)
The interaction between disulfide bond and transition metals, A DFT study rasoli sabah, Khaled Azizi (2013)
An ab initio study on the adsorption of CH4 on Al-doped single wall boronnitride nanotubes Khaled Azizi, Kobra Salabat (2013)
A Computational Study on the Effects of Size and Chirality on the Electronic and Structural Properties of BP Nanotubes Kobra Salabat, Khaled Azizi (2013)
Theoretical investigation on the structural and electronic properties of phosphorus and sulfur doped single walled boron nitride nanotubes and the adsorption process of carbon monoxide on the sulfur doped single walled boron nitride nanotubes Khaled Azizi, Robabeh Naghibi (2013)
Theoretical study of structural and electronic properties of single walled pure Silicon and Boron-Silicon nanotubes Ebrahim Gafouri Jondani, Khaled Azizi (2012)
A DFT Study on the Interaction Between Hydroxyl and Phenyl radicals with DNA Base Pairs Khaled Azizi, Mohammad Zarei (2011)
Ab initio study on the stability and reactivity of DNA base pairs Khaled Azizi, Bayan Azizi (2011)
A DFT study on the adsorption of O2, N2, CO and CH4 on Single Wall Aluminium Phosphide nanotubes Khaled Azizi, pour sadegh hamed (2011)
A theoretical investigation on the adsorption of H2, N2 , CO and CH4 gases on single wall silicon nanotubes Khaled Azizi, Araz Mohammad rezvani (2011)
Density Functional Theory Study of the Effects of Diameter and Orientation on the Adsorption of Methane and Tetrafluoromethane on the Zigzag Single-Walled Carbon Nanotubes Khaled Azizi (2009)
Density Functional Study of the Effect of Diameter and Chirality on the Electronic Properties of Pure Single Walled Carbon Nanotubes. Khaled Azizi, Seyed Majid Hashemianzadeh, Shariyar Bahrami far (2008)
Density Functional Theory Study of the Effects of Diameter and Orientation on the Adsorption of Carbon Monoxide on the Zigzag Single-Walled Carbon Nanotubes Seyed Majid Hashemianzadeh, Khaled Azizi, Shariyar Bahrami far (2008)
Density Functional Theory Study of Adsorptions of Carbon Monoxide on the Inside and Outside of the Armchair Single-Walled Carbon Nanotubes Khaled Azizi, Seyed Majid Hashemianzadeh, Shariyar Bahrami far (2008)
DFT-Based QSAR Study of n-Alkanols and Fluorinated Alkanols Khaled Azizi, Maryam Kaykhae, Mohammad ali Safarpoor, Ahmad Reza Mahdipour (2008)
Density functional study of the adsorptions of carbon monoxide on the inside and outside of single wall carbon nanotubes Khaled Azizi, Seyed Majid Hashemianzadeh, Shariyar Bahrami far (2008)
Estimation of the Free Energy of Cavity Formation in Liquids by Using Hard-Like Effective Pair Correlation Function. Khaled Azizi (2007)
Application of HF and DFT Methods in QSAR Study of Thiazolidin Derivatives Khaled Azizi, Somayyeh norozi, Seyed Majid Hashemianzadeh, Mohammad ali Safarpoor, Ahmad Reza Mahdipour (2007)
Evaluation of the Thermodynamic Properties of Cavity Formation. Khaled Azizi, Seyed Majid Hashemianzadeh (2005)
Free Energy of Cavity Formation in Real Fluids Khaled Azizi (2005)
Heat of Vaporization Expression with Respect to Cavity Formation Energy and Molecular Hard-Core Diameter Khaled Azizi, Asadollah Nasehzadeh (2005)
The effect of temperature on the Lennard-Jones (6-12) pair potential function. Asadollah Nasehzadeh, M. Mohseni, Hossien Naghibi, Khaled Azizi (2001)
Speech
Powered By Jiro