خالد عزیزی

مقالات علمی چاپ شده در مجلات

1. "Theoretical study of adsorption of ethanol and acetone molecules by perfect and defected h-BN nanosheet"
   Khaled Azizi, Reyhan Omidirad
   SUPERLATTICES AND MICROSTRUCTURES, 2020
2. "Insight into 1:1 complexes of H2O with NF3 and CF2Cl2: a quantum chemical approach"
   Khaled Azizi, Abdolvahab Seif, Nazila Abdi, Moein Goodarzi, Alimorad Rashidi
   JOURNAL OF CHEMICAL SCIENCES, 2020
3. "Investigation of benzodiazepines (BZDs) in a DPPC lipid bilayer: Insights from molecular dynamics simulation and DFT calculations"
   Khaled Azizi, Mokhtar Ganjali Koli
   JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2019
4. "DFT study of charge-controlled mechanism of water molecule dissociation on vacancy defected boron nitride nanosheets"
   Khaled Azizi, Reyhan Omidirad
   JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2019
5. "Theoretical insight into a feasible strategy of capturing, storing and releasing toxic HCN at the surface of doped BN-sheets by charge modulation"
   Khaled Azizi, Abdolvahab Seif, Alimorad Rashidi, steve scheiner, tapas kar
   Applied Surface Science, 2019
6. "Copper–birhodanine complex immobilized on Fe3O4 nanoparticles: DFT studies and heterogeneous catalytic applications in the synthesis of propargylamines in aqueous medium"
   Kamal amani, Khaled Azizi, manochehr Rezaei
   APPLIED ORGANOMETALLIC CHEMISTRY, 2018
7. "Adsorption and growth of palladium clusters on graphdiyne"
   Khaled Azizi, Abdolvahab Seif, M. L. Lopez, A. Granja-DelRío, Julio A. Alonso
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017
8. "The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation"
   Khaled Azizi, Mokhtar Ganjali Koli
   MOLECULAR MEMBRANE BIOLOGY, 2016
9. "Effect of phenolic radicals on the geometry and electronic structure of DNA base pairs: computational study"
   Jamil Bahrami, Khaled Azizi, Mohammad Zarei, Abdolvahab Seif, Mohanna Zarei
   INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2016
10. "Charge-controlled switchable methane adsorption on heteroatom-doped BNNSs"
    Khaled Azizi, Abdolvahab Seif
    RSC advances, 2016
11. "A new strategy for hydrogen storage using BNNS: simultaneous effects of doping and charge modulation"
    Khaled Azizi, Abdolvahab Seif
    RSC advances, 2016
12. "Molecular dynamics simulations of Oxprenolol and Propranolol in aDPPC lipid bilayer"
    Khaled Azizi, Mokhtar Ganjali Koli
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016
13. "Methane storage on aluminum-doped single wall BNNTs"
    Khaled Azizi, Kobra Salabat, Abdolvahab Seif
    Applied Surface Science, 2014
14. "Ab initio study of 1:1 complexes of nitrogen trifluoride with nitrous oxide and carbon dioxide in vacuo"
    Khaled Azizi, Abdolvahab Seif, Moein Goodarzi, Ramin Bagherzadeh
    JOURNAL OF CHEMICAL SCIENCES, 2013
15. "Computational study of Al- or P-doped single-walled carbon nanotubes as NH3 and NO2 sensors"
    Khaled Azizi, Mohammad KarimPanah
    Applied Surface Science, 2013
16. "A DFT study on the interaction between adsorbed silver on C60 and disulfide bond"
    Khaled Azizi, Ali SohrabiNiya
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2012
17. "Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes"
    Khaled Azizi, Shariyar Bahrami far, Seyed Majid Hashemianzadeh
    CURRENT APPLIED PHYSICS, 2011
18. "The Heat of Vaporization and Nanocavity Formation"
    Khaled Azizi, Asadollah Nasehzadeh
    Journal of the Iranian Chemical Society, 2009
19. "DFT-based QSAR study of alkanols and alkanthiols using the conductor-like polarizable continuum model (CPCM)"
    Khaled Azizi, Maryam Kaykhae, Mohammad ali Safarpoor, Ahmad Reza Mahdipour
    JOURNAL OF MOLECULAR MODELING, 2009
20. "The Heat of Vaporization and Hard Sphere Diameters From Cavity Formation Energies"
    Khaled Azizi, Asadollah Nasehzadeh
    JOURNAL OF MOLECULAR STRUCTURE, 2003
21. "The effect of temperature on the Lennard–Jones (6–12) pair potential function"
    Khaled Azizi, M. Mohseni, Asadollah Nasehzadeh
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002

مقالات علمی ارائه شده در همایش‌ها

1. "Adsorption and Growth of Palladium Clusters on Graphdiyne"
   خالد عزیزی، عبدالوهاب سیف، ام ال لوپز، ای گرانجا دل ریو، خو لیو ای آلونسو
   The 8th International Conference on Theory of Atomic & Molecular Clusters، 1396
2. "Simulation of Clonazepam and Diazepam in DPPC membrane: Investigation of the movement"
   خالد عزیزی، مختار گنجعلی کلی
   بیستمین کنفرانس شیمی فیزیک ایران، 1396
3. "Al-doped BNNS: A Promising Material for H2S Adsorption"
   خالد عزیزی، عبدالوهاب سیف
   Sixth Theoretical and Computational Chemistry Workshop TCCW 2017، 1395
4. "Cooperativity between Halogen Bonding and Lithium Bonding in Pyridine(N)…ClCN…LiOH Complex: Investigation of Substituent Effects"
   خالد عزیزی، عبدالوهاب سیف، خدیجه سبزی طومار آغاج
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
5. "Insight into the Complexes Formed between CF2Cl2 and HCX (X=N and P): A Computational Study"
   خالد عزیزی، عبدالوهاب سیف، نازیلا عبدی
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
6. "Quantum Chemistry Aspects of Complexes of C6H5NH2 with GC Set from DFT Point of View"
   خالد عزیزی، مریم مالمیر، عبدالوهاب سیف
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
7. "Theoretical Evaluation of the Complexes of NF3 with H2O in Gas Phase"
   خالد عزیزی، عبدالوهاب سیف، نازیلا عبدی
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
8. "Conformational Analysis and Intramolecular Bond Strength of Complexes of C6H5NH+ with AT Set: A Quantum Chemical Investigation"
   خالد عزیزی، مریم مالمیر، عبدالوهاب سیف
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
9. "Theoretical Study on the Competition between Hydrogen and Lithium Bonding versus Halogen Bonding in Pyridine(N)…XCN…(LiOH) Complexes (X = Cl, Br)"
   خالد عزیزی، عبدالوهاب سیف، خدیجه سبزی طومار آغاج
   هفدهمین کنفرانس شیمی فیزیک ایران، 1393
10. "An ab initio study on the adsorption of CH4 on Al-doped single wall boronnitride nanotubes"
    خالد عزیزی، کبری صلابت
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
11. "The interaction between disulfide bond and transition metals, A DFT study"
    خالد عزیزی، صباح رسولی
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
12. "Amino-functionalized single-walled carbon nanotubes as a novel adsorbent for aqueous heavy metals removal: DFT study"
    خالد عزیزی، فاطمه شاه محمدی بامداد
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
13. "First principal study on the adsorption of Cu, Mo, Y and Zr on the outer surface of fullerene C60"
    خالد عزیزی، صباح رسولی
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
14. "First- principal study of hydrogen storage on AgC60"
    خالد عزیزی، فهیمه عبدی
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
15. "A Computational Study on the Effects of Size and Chirality on the Electronic and Structural Properties of BP Nanotubes"
    خالد عزیزی، کبری صلابت
    شانزدهمین کنفرانس شیمی فیزیک ایران، 1392
16. "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"
    خالد عزیزی، ربابه نقیبی
    شانزدهمین کنگره شیمی ایران، 1392
17. "Theoretical study of structural and electronic properties of single walled pure Silicon and Boron-Silicon nanotubes"
    خالد عزیزی، ابراهیم غفوری جندانی
    پانزدهمین کنفرانس شیمی فیزیک ایران، 1391
18. "A DFT Study on the Interaction Between Hydroxyl and Phenyl radicals with DNA Base Pairs"
    خالد عزیزی، محمد زارعی (دانشجوی گروه شیمی)
    14th Iranian Physical Chemistry Seminar، 1389
19. "Ab initio study on the stability and reactivity of DNA base pairs"
    خالد عزیزی، بیان عزیزی
    14th Iranian Physical Chemistry Seminar، 1389
20. "A DFT study on the adsorption of O2, N2, CO and CH4 on Single Wall Aluminium Phosphide nanotubes"
    خالد عزیزی، حامد پور صادق لیمویی
    14th Iranian Physical Chemistry Seminar، 1389
21. "A theoretical investigation on the adsorption of H2, N2 , CO and CH4 gases on single wall silicon nanotubes"
    خالد عزیزی، عراز محمد رضوانی
    14th Iranian Physical Chemistry Seminar، 1389
22. "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"
    خالد عزیزی
    12thIran. Physical Chem. Seminar، 1388
23. "Density Functional Study of the Effect of Diameter and Chirality on the Electronic Properties of Pure Single Walled Carbon Nanotubes."
    خالد عزیزی، شهریار بهرامی فر، سیدمجید هاشمیان زاده
    دومین کنفرانس بین المللی نانوفناوری و نانوتکنولوژی، 1387
24. "Density Functional Theory Study of the Effects of Diameter and Orientation on the Adsorption of Carbon Monoxide on the Zigzag Single-Walled Carbon Nanotubes"
    خالد عزیزی، شهریار بهرامی فر، سیدمجید هاشمیان زاده
    دومین کنفرانس بین المللی نانوفناوری و نانوتکنولوژی، 1387
25. "Density functional study of the adsorptions of carbon monoxide on the inside and outside of single wall carbon nanotubes"
    خالد عزیزی، شهریار بهرامی فر، سیدمجید هاشمیان زاده
    11th Iranian Physical Chemistry Seminar، 1387
26. "Density Functional Theory Study of Adsorptions of Carbon Monoxide on the Inside and Outside of the Armchair Single-Walled Carbon Nanotubes"
    خالد عزیزی، شهریار بهرامی فر، سیدمجید هاشمیان زاده
    11th Iranian Physical Chemistry Seminar، 1387
27. "DFT-Based QSAR Study of n-Alkanols and Fluorinated Alkanols"
    خالد عزیزی، مریم کیخائی، محمد علی صفر پور، احمدرضا مهدی پور
    11th Iranian Physical Chemistry Seminar، 1387
28. "Estimation of the Free Energy of Cavity Formation in Liquids by Using Hard-Like Effective Pair Correlation Function."
    خالد عزیزی
    The 10th Iranian Physical Chemistry Seminar، 1386
29. "Application of HF and DFT Methods in QSAR Study of Thiazolidin Derivatives"
    خالد عزیزی، سمیه نوروزی، محمد علی صفر پور، احمدرضا مهدی پور، سیدمجید هاشمیان زاده
    The 10th Iranian Physical Chemistry Seminar، 1386
30. "Evaluation of the Thermodynamic Properties of Cavity Formation."
    خالد عزیزی، سیدمجید هاشمیان زاده
    8th Iranain Physical Chemistry Seminar، 1384
31. "Heat of Vaporization Expression with Respect to Cavity Formation Energy and Molecular Hard-Core Diameter"
    خالد عزیزی، اسداله ناصح زاده
    هفتمین سمینار شیمی فیزیک ایران، 1383
32. "Free Energy of Cavity Formation in Real Fluids"
    خالد عزیزی
    هفتمین سمینار شیمی فیزیک ایران، 1383
33. "The effect of temperature on the Lennard-Jones (6-12) pair potential function."
    خالد عزیزی، م. محسنی، اسداله ناصح زاده، حسین نقیبی
    World and 9th Asian Chemical Congress (WCC IUPAC)، 1380