دانشجویان تحت راهنمایی
#
عنوان
افراد
1
بررسی عملکرد روش یون زدایی خازنی با کاتد MXene و آند گرافنی روی نمک زدایی آب با استفاده از شبیه سازی دینامیک مولکولی
محمدعرفان رنجبرازاد
2
شبیه سازی دینامیک مولکولی نمک زدایی از آب به روش اسمز معکوس با استفاده از غشای چارچوب ایمیدازولات زئولیت
فاطمه عابدینی
دروس ترم جاری
627 - شیمی محاسباتی - روز: دوشنبه - از ساعت 08:00 تا 09:30
627 - شیمی محاسباتی - روز: سه شنبه - از ساعت 08:00 تا 09:30
008 - شیمی فیزیک 2 - روز: شنبه - از ساعت 08:00 تا 10:00
008 - شیمی فیزیک 2 - روز: سه شنبه - از ساعت 13:30 تا 14:30
008 - شیمی فیزیک 2 - روز: سه شنبه - از ساعت 14:30 تا 15:30
011 - آزمایشگاه شیمی فیزیک 1 - روز: شنبه - از ساعت 15:30 تا 17:30
011 - آزمایشگاه شیمی فیزیک 1 - روز: شنبه - از ساعت 13:30 تا 15:30
دوره های درسی
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عنوان درس
توصیف درس
سرفصل ها
دوره درسی
توضیحات
فایل
1
شیمی محاسباتی
کارشناسی ارشد
کد دانشکده:13کد گروه درسی:14کد درس:627گروه درس:21تعداد دانشجو:10تعداد واحد3روز:دوشنبهزمان شروع کلاس:08:00زمان پایان کلاس:09:30نام ساختمان:دانشکده علومنام کلاس:سالن امتحانات دانشکده شیمی
2
شیمی محاسباتی
کارشناسی ارشد
کد دانشکده:13کد گروه درسی:14کد درس:627گروه درس:21تعداد دانشجو:10تعداد واحد3روز:سه شنبهزمان شروع کلاس:08:00زمان پایان کلاس:09:30نام ساختمان:دانشکده علومنام کلاس:307 دانشکده شیمی
3
شیمی فیزیک 2
کارشناسی
کد دانشکده:13کد گروه درسی:11کد درس:008گروه درس:11تعداد دانشجو:50تعداد واحد3روز:شنبهزمان شروع کلاس:08:00زمان پایان کلاس:10:00نام ساختمان:دانشکده علومنام کلاس:305 دانشکده شیمی
4
شیمی فیزیک 2
کارشناسی
کد دانشکده:13کد گروه درسی:11کد درس:008گروه درس:11تعداد دانشجو:50تعداد واحد3روز:سه شنبهزمان شروع کلاس:13:30زمان پایان کلاس:14:30نام ساختمان:دانشکده علومنام کلاس:305 دانشکده شیمی
5
شیمی فیزیک 2
کارشناسی
کد دانشکده:13کد گروه درسی:11کد درس:008گروه درس:11تعداد دانشجو:50تعداد واحد3روز:سه شنبهزمان شروع کلاس:14:30زمان پایان کلاس:15:30نام ساختمان:دانشکده علومنام کلاس:305 دانشکده شیمی
6
آزمایشگاه شیمی فیزیک 1
کارشناسی
کد دانشکده:13کد گروه درسی:11کد درس:011گروه درس:12تعداد دانشجو:16تعداد واحد1روز:شنبهزمان شروع کلاس:15:30زمان پایان کلاس:17:30نام ساختمان:نام کلاس:
7
آزمایشگاه شیمی فیزیک 1
کارشناسی
کد دانشکده:13کد گروه درسی:11کد درس:011گروه درس:11تعداد دانشجو:15تعداد واحد1روز:شنبهزمان شروع کلاس:13:30زمان پایان کلاس:15:30نام ساختمان:نام کلاس:
مقالات چاپ شده
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عنوان
نگارندگان
عنوان مجله
سال انتشار
1
Enhancing the seawater desalination performance of multilayer reduced graphene oxide membranes by introducing in-plane nanopores: a molecular dynamics simulation study
Z. Alinia, , F. Mohammadi Zonoz, R. Tayebee
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2024
2
Thermal behavior of different types of Au-Pt-Pd nanoparticles: Dumbbell-like, three-shell, core-shell, and random-alloy
, Esmat Mehrjouei, Mohsen Abbaspour, Sirous Salemi, Hamzeh Yaghoubi, Maliheh Kamrani
MATERIALS CHEMISTRY AND PHYSICS
2023
3
Combined experimental and molecular dynamic simulation study on low pressure solubility of CO2 in Thymol - Decanol based hydrophobic deep eutectic solvent and its binary mixtures with ethylene glycol
Ali Reza Harifi Mood, Marzieh Sarafrazi, , Mahnaz Alinezhad
SEPARATION AND PURIFICATION TECHNOLOGY
2023
4
Investigation of small inhibitor effects on methane hydrate formation in a carbon nanotube using molecular dynamics simulation
Mohsen Abbaspour, Fateme Fotourechi, , Sirous Salemi
RSC Advances
2023
5
Role of the middle-shell in the stability of three-shell nanoparticles: A molecular dynamics study
, Neda Abareshi, Maliheh Kamrani
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2023
6
Molecular dynamics simulation of desalination process using polyoxometalate ionic liquid confined in carbon nanotubes
Mohsen Abbaspour, Majid Namayandeh Jorabchi,
JOURNAL OF MOLECULAR LIQUIDS
2023
7
Molecular insight into C60-grafted graphene oxide as a novel reverse osmosis membrane with low energy consumption for seawater desalination
Tahereh Ranjbar, , Esmat Mehrjouei, Mohsen Abbaspour, Sirous Salemi, Hamzeh Yaghoubi
DESALINATION
2022
8
Yolk-shell nanoparticles with different cores: A molecular dynamics study
Samira Ramezanzadeh, , Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2022
9
Boron Nitride- and Graphene-Supported Trimetallic Yolk-Shell and Hollow Nanoparticles
, Esmat Mehrjouei, Mohsen Abbaspour, Sirous Salemi, Hamzeh Yaghoubi, Samira Ramezanzadeh
INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH
2022
10
Ball-Cup, Janus, core-shell and disordered-alloy rhodium-gold nanoparticles: An atomistic simulation on structural stability
, Esmat Mehrjouei, Mohsen Abbaspour, Sirous Salemi, Hamzeh Yaghoubi, Zohreh Hajizadeh
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2022
11
Concave Pd-M (M = Co, Ni, Cu, Rh, Ag, Ir, Pt, and Au) nanocubes explored by molecular dynamics simulations: A liquid-like expansion mechanism
, Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Cobra Izanloo, Maliheh Kamrani
APPLIED SURFACE SCIENCE
2022
12
Evaluation of interface thermal transport of Cu-Graphene nanocomposite under cascade overlaps and its effects on irradiation-induced defects
M. Amini, B. Azadegan, , R. Gharaei
JOURNAL OF NUCLEAR MATERIALS
2022
13
The role of carbon allotropes on the radiation resistance of Cu-based nanocomposites: An atomistic, energetic, and thermodynamic perspective
Maryam Amini, Behnam Azadegan, , Reza Gharaei
COMPUTATIONAL MATERIALS SCIENCE
2022
14
Thermal stability and melting mechanism of diamond nanothreads: Insight from molecular dynamics simulation
Morteza Eidani, , Esmat Mehrjouei, Mohsen Abbaspour, Sirous Salemi, Hamzeh Yaghoubi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2022
15
Formation of methane clathrates into fullerene: A molecular dynamics study
Mohsen Abbaspour, , Sirous Salemi, Seyedeh Fatemeh Tahami
JOURNAL OF MOLECULAR LIQUIDS
2022
16
Analysis of MoS2 and WS2 nano-layers role on the radiation resistance of various Cu/MS2/Cu and Cu/MS2@Cu@MS2/Cu nanocomposites
M. Amini, B. Azadegan, , R. Gharaei
Materialia
2022
17
Investigation of doped carbon nanotubes on desalination process using molecular dynamics simulations
Mohsen Abbaspour, , Majid Namayandeh Jorabchi, Sirous Salemi, Narges Ahmadi
JOURNAL OF MOLECULAR LIQUIDS
2022
18
Pt core confined within an Au skeletal frame: Pt@Void@Au nanoframes in a molecular dynamics Perspective
, Esmat Mehrjouei, Mohsen Abbaspour, Amir Nasser Shamkhali, Cobra Izanloo, Azizeh Masoumi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2021
19
Melting Behavior of Bimetallic and Trimetallic Nanoparticles: A Review of MD Simulation Studies
, Esmat Mehrjouei, Mohsen Abbaspour, Amir Nasser Shamkhali
Topics in Current Chemistry
2021
20
Molecular dynamics simulation of carbon peapod-like nanomaterials in desalination process
Mohsen Abbaspour, Majid Namayandeh Jorabchi, , Narges Ahmadi
DESALINATION
2021
21
Stability of Pd@void@M (M=Ni, Ag, and Pt) yolk shell nanoparticles controlled by structural factors: A molecular dynamics perspective
, Esmat Mehrjouei, Amir Nasser Shamkhali, Samira Ramezanzadeh, Mohsen Abbaspour, Sirous Salemi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2021
22
Investigation of the thermal properties of phase change materials encapsulated in capped carbon nanotubes using molecular dynamics simulations
Mohsen Abbaspour, Majid Namayandeh Jorabchi, , Azra Ebrahimnejad
RSC Advances
2021
23
Phase transitions in nanostructured water confined in carbon nanotubes by external electric and magnetic fields: a molecular dynamics investigation
Mohsen Abbaspour, , Sirous Salemi, Leila Bahmanipour
RSC Advances
2021
24
Structure, dynamics, and morphology of nanostructured water confined between parallel graphene surfaces and in carbon nanotubes by applying magnetic and electric fields
Mohsen Abbaspour, , Sirous Salemi, Leila Bahmanipour
Soft Matter
2021
25
Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B-, N-, and Si-Doped Graphene Surfaces and Carbon Nanotubes
Mohsen Abbaspour, , Shadi Zaeifi
INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH
2020
26
Molecular dynamics simulation of anticancer drug delivery from carbon nanotube using metal nanowires
Mohsen Abbaspour, Majid Namayandeh Jorabchi, , Sirous Salemi, Reyhaneh Ebrahimi
JOURNAL OF COMPUTATIONAL CHEMISTRY
2019
27
Investigation of Possible Formation of Au@M (M = Cu, Ir, Pt, and Rh) Core-Shell Nanoclusters in a Condensation-Coalescence Process Using Molecular Dynamics Simulations
Mohsen Abbaspour, , Sirous Salemi, Samira Lotfi
INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH
2018
28
Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations
Mohsen Abbaspour, , Samira Lotfi
JOURNAL OF ALLOYS AND COMPOUNDS
2018
29
Investigation of different effects on the capacity of supercapacitor comprising an ionic liquid between graphene oxide nanosheets
Masoumeh Nasimi, , Mohsen Abbaspour, Sirous Salemi, Vahid Sokhanvaran, Cobra Izanloo
JOURNAL OF MOLECULAR LIQUIDS
2018
30
Unexpected trend for thermodynamic stability of Au@void@AgAu yolk-shell nanoparticles: A molecular dynamics study
, Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Samira Ramezanzadeh
APPLIED SURFACE SCIENCE
2018
31
Pt-Co nanocluster in hollow carbon nanospheres
, Mohsen Abbaspour, Esmat Mehrjouei, Samira Ramezanzadeh
JOURNAL OF COMPUTATIONAL CHEMISTRY
2018
32
Stability Control of AgPd@Pt Trimetallic Nanoparticles via Ag-Pd Core Structure and Composition: A Molecular Dynamics Study
, Mohsen Abbaspour, Esmat Mehrjouei, Maliheh Kamrani
INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH
2018
33
Rattle, Porous, and Dense Cores and Discontinuous Porous, Continuous Porous, and Dense Shells in Pt@Au Core-Shell Nanoparticles
, Esmat Mehrjouei, Arezoo Moradi, Amir Nasser Shamkhali
INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH
2018
34
Adsorption mechanism of different acyclovir concentrations on 1-2 nm sized magnetite nanoparticles: A molecular dynamics study
Atefeh-sadat Hosseini nasr, , Reza Tayebee
JOURNAL OF MOLECULAR LIQUIDS
2018
35
Molecular dynamics simulation of liquid water and ice nanoclusters using a new effective HFD?like model
Mohsen Abbaspour, , Sirous Salemi, Khodanazar Pirfalak
JOURNAL OF COMPUTATIONAL CHEMISTRY
2018
36
Some properties of solid helium and helium nanoclusters using the effective HFD-like interaction potential: Adsorption and desorption inside carbon nanotube
M. Abbaspour, , S.Z. Banihashemi, A. Sotoudeh
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
2018
37
Thermodynamic, structural, and dynamical properties of nano-confined water using SPC/E and TIP4P models by molecular dynamics simulations
Elham Jalalitalab, Mohsen Abbaspour,
NEW JOURNAL OF CHEMISTRY
2018
38
Ag-Au nanoparticles encapsulated inside porous hollow carbon nanospheres: a molecular dynamics study
, Mohsen Abbaspour, Esmat Mehrjouei, Samira Ramezanzadeh
NEW JOURNAL OF CHEMISTRY
2018
39
Au-Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition
, Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Maliheh Kamrani
NEW JOURNAL OF CHEMISTRY
2018
40
Au-Ir nanoalloy nucleation during the gas-phase condensation: a comprehensive MD study including different effects
Mohsen Abbaspour, , Zahra Valizadeh
Inorganic Chemistry Frontiers
2018
41
Formation of methane clathrates in carbon nanotubes: a molecular dynamics study
, Mohsen Abbaspour, Sirous Salemi, Ali Nazarian
NEW JOURNAL OF CHEMISTRY
2018
42
AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: insights from atomistic simulations
, Mohsen Abbaspour, Esmat Mehrjouei, Maliheh Kamrani
Inorganic Chemistry Frontiers
2018
43
Density-dependent phase transition in nano-confinement water using molecular dynamics simulation
Mohsen Abbaspour, , Sirous Salemi, Elham Jalalitalab
JOURNAL OF MOLECULAR LIQUIDS
2018
44
Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters
, Mohsen Abbaspour, Esmat Mehrjouei
JOURNAL OF MOLECULAR LIQUIDS
2018
45
Pt-Pd nanoalloys with crown-jewel structures: How size of the mother Pt cluster affects on thermal and structural properties of Pt-Pd nanoalloys?
, Esmat Mehrjouei, Azizeh Masoumi, Vahid Sokhanvaran
JOURNAL OF MOLECULAR LIQUIDS
2018
46
Coalescence process of gold/silver core-shell nanoparticles located on carbon nanotube and graphene surfaces
, Mohsen Abbaspour, Sirous Salemi, Monireh Hasani
JOURNAL OF MOLECULAR LIQUIDS
2017
47
Structural evolution of Pt/Pd nanoparticles in condensation process
, Mohsen Abbaspour, Esmat Mehrjouei, Azizeh Masoumi
JOURNAL OF MOLECULAR LIQUIDS
2017
48
Injection of mixture of shale gases in a nanoscale pore of graphite and their displacement by CO2/N2 gases using molecular dynamics study
, Mohsen Abbaspour, Sirous Salemi, Mahnaz Akbari
JOURNAL OF MOLECULAR LIQUIDS
2017
49
Au@void@AgAu Yolk-Shell Nanoparticles with Dominant Strain Effects: A Molecular Dynamics Simulation
, Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Samira Ramezanzadeh
the journal of physical chemistry letters
2017
50
Investigation of solvation of iron nanoclusters in ionic liquid 1-butyl-1,1,1-trimethylammonium methane sulfonate using molecular dynamics simulations: Effect of cluster size at different temperatures
Mohsen Abbaspour, , Parnian Yousefi, Mohammad Razmkhah
JOURNAL OF COLLOID AND INTERFACE SCIENCE
2017
51
Effect of support on the coalescence between Ag@Au nanoalloys using MD simulations
, Mohsen Abbaspour, Sirous Salemi, Monireh Hasani
JOURNAL OF MOLECULAR LIQUIDS
2017
52
Au@Pt and Pt@Au nanoalloys in the icosahedral and cuboctahedral structures: Which is more stable?
, Mohsen Abbaspour, Esmat Mehrjouei
JOURNAL OF MOLECULAR LIQUIDS
2017
53
Dynamical investigation of formation of Ni-Pt nanoclusters in gas phase
, Mohsen Abbaspour, Azizeh Masoumi, Esmat Mehrjouei
JOURNAL OF MOLECULAR LIQUIDS
2017
54
Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study
Esmat Mehrjouei, , Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Pooya Abdi
MOLECULAR PHARMACEUTICS
2017
55
Effects of pressure, nanoalloy size, and nanoalloy mole fraction on melting of Ir-Rh nanoalloys using molecular dynamics simulations
, Mohsen Abbaspour
JOURNAL OF ALLOYS AND COMPOUNDS
2017
56
Effect of Pt addition to Ag Au bimetallic nanoclusters: A molecular dynamics study of Ag-Au-Pt ternary system
, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Zohreh Hajizadeh
JOURNAL OF ALLOYS AND COMPOUNDS
2017
57
New molecular insights into the stability of Ni-Pd hollow nanoparticles
, Esmat Mehrjouei, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Samira Ramezanzadeh
Inorganic Chemistry Frontiers
2017
58
Competition between stability of icosahedral and cuboctahedral morphologies in bimetallic nanoalloys
, Mohsen Abbaspour, Esmat Mehrjouei
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2017
59
Ni-Co bimetallic nanoparticles with core-shell, alloyed, and Janus structures explored by MD simulation
, Esmat Mehrjouei, Samira Ramezanzadeh, Cobra Izanloo
JOURNAL OF MOLECULAR LIQUIDS
2017
60
Thermal stabilities of iron nanoparticles under hydrostatic pressure
, Cobra Izanloo, Arezoo Moradi
JOURNAL OF MOLECULAR LIQUIDS
2017
61
Kinetics formation of bimetallic nanoalloys at different simulation times
, Farid Taherkhani, Esmat Mehrjouei, Azizeh Masoumi
JOURNAL OF MOLECULAR LIQUIDS
2017
62
Au@Void@Ag Yolk-Shell Nanoclusters Visited by Molecular Dynamics Simulation: The Effects of Structural Factors on Thermodynamic Stability
, Esmat Mehrjouei, Amir Nasser Shamkhali
the journal of physical chemistry letters
2017
63
A comprehensive molecular dynamics investigation on confinement of Pt Cu nanocluster inside carbon nanotubes
, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Zeinab Attaran
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2017
64
Effect of pressure on some properties of Ag@Pd and Pd@Ag nanoclusters
, Mohsen Abbaspour
JOURNAL OF ALLOYS AND COMPOUNDS
2017
65
Different morphologies of aluminum nanoclusters: Effect of pressure on solid-liquid phase transition of the nanoclusters using molecular dynamics simulations
, Mohsen Abbaspour
JOURNAL OF MOLECULAR LIQUIDS
2017
66
Dumbbell-like, core-shell and Janus-like configurations in Pd@Au@Pd three-shell nanoalloys: a molecular dynamics study
, Esmat Mehrjouei, Mehdi Sherafati, Amir Nasser Shamkhali
Inorganic Chemistry Frontiers
2017
67
Ag-Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulation
, A. N. Shamkhali, E. Mehrjouei
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2017
68
Au Pd nanoclusters supported on bundles of nanotubes and graphite surface: A comprehensive molecular dynamics study
, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Elham Khomarian
JOURNAL OF ALLOYS AND COMPOUNDS
2016
69
Equation of state and some structural and dynamical properties of the confined Lennard-Jones fluid into carbon nanotube: A molecular dynamics study
Mohsen Abbaspour, , Sirous Salemi, Mousarreza Abroodi
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
2016
70
A modified thermodynamic insight to deliquescence of a void-containing nanocrystal confirmed by MD simulation
, Mohsen Abbaspour, Sirous Salemi, Azizeh Masoumi, Amir Nasser Shamkhali
AICHE JOURNAL
2016
71
Mo nanocluster under high pressure: A molecular dynamics study
, Mohsen Abbaspour
JOURNAL OF MOLECULAR LIQUIDS
2016
72
Molecular dynamics simulation of noble gas adsorption on graphite: New effective potentials including many-body interactions
M. Abbaspour, , S. Salemi, M. Sherafati
JOURNAL OF MOLECULAR LIQUIDS
2016
73
Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case
, Mohsen Abbaspour, Elham Khomarian
JOURNAL OF MOLECULAR LIQUIDS
2016
74
Investigation of size dependence of the properties of Cu nanoclusters using molecular dynamics simulations
, Mohsen Abbaspour
JOURNAL OF MOLECULAR LIQUIDS
2016
75
Investigation of melting and freezing of Ag-Au alloy nanoclusters supported on carbon nanotube using molecular dynamics simulations
, Mohsen Abbaspour
JOURNAL OF MOLECULAR LIQUIDS
2016
76
Investigation of thermal, structural and dynamical properties of (Aux-Cuy-Niy)N=32,108,256 ternary nanosystems: effect of Au addition to Cu-Ni bimetallic nanoclusters via MD simulation
, Mohsen Abbaspour, Esmat Mehrjouei
RSC Advances
2016
77
Phase transition in crown-jewel structured Au-Ir nanoalloys with different shapes: a molecular dynamics study
, Mohsen Abbaspour, Esmat Mehrjouei
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2016
78
A comprehensive study of methane/carbon dioxide adsorptive selectivity in different bundle nanotubes
, Mohsen Abbaspour
RSC Advances
2016
79
A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt-Cu bimetallic nanoclusters
, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Zeinab Attaran
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2016
80
Propene adsorption on gold-palladium nanoalloys supported on bundle nanotubes
, Mohsen Abbaspour, Elham Khomarian
RSC Advances
2016
81
Properties of silver nanoclusters and bulk silver, using a new and accurate HFD-like potential, including many-body interactions: the inversion scheme and molecular dynamics simulation
Mohsen Abbaspour, , Sirous Salemi, Ali Sotoudeh
RSC Advances
2016
82
Carbon monoxide adsorption on the single-walled carbon nanotube supported gold-silver nanoalloys
, Mohsen Abbaspour, Sirous Salemi
NEW JOURNAL OF CHEMISTRY
2016
83
Adsorption of He-Ar binary mixture on the silver nanoclusters: A molecular dynamics investigation on the effects mole fraction of mixture, shape and size of the nanocluster
, Amir Nasser Shamkhali, Farid Taherkhani
JOURNAL OF MOLECULAR LIQUIDS
2016
84
Nano-confined ionic liquid [emim][PF6] between graphite sheets: A molecular dynamics study
Sirous Salemi, , Somayeh Abdollahzadeh
JOURNAL OF MOLECULAR LIQUIDS
2016
85
Effects of diameter and chirality on structural and dynamical behavior of [EMIM][PF6] encapsulated in carbon nanotube: A molecular dynamics study
, Mohsen Abbaspour
JOURNAL OF MOLECULAR LIQUIDS
2015
86
Investigation of Thermodynamic, Dynamic, and Structural Properties of H2 Adsorption on a Ag-Au Nanoalloy with a Carbon Nanotube Support
, Mohsen Abbaspour, Sirous Salemi, Mahmood Dastoorani
CHEMPHYSCHEM
2015
87
Molecular dynamics investigation on the deliquescence of NH4Cl and NH4NO3nanoparticles under atmospheric conditions
, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi
RSC Advances
2015
88
A new and accurate expression for the radial distribution function of confined Lennard-Jones fluid in carbon nanotubes
Mohsen Abbaspour, , Mousarreza Abroodi
RSC Advances
2015
89
Investigation of thermal evolution of copper nanoclusters encapsulated in carbon nanotubes: a molecular dynamics study
, Mohsen Abbaspour, Sirous Salemi, Mousareza Abroodi
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2015
90
Size dependence of the equation of state for Ne nanoclusters from an effective two-body potential via molecular dynamics simulations
, Mohsen Abbaspour
RSC Advances
2015
91
Investigation of the melting of ionic liquid [emim][PF6] confined inside carbon nanotubes using molecular dynamics simulations
, Mohsen Abbaspour, Sirous Salemi, Somayeh Abdollahzadeh
RSC Advances
2015
92
Temperature and Doping Effect on Thermal Conductivity of Copper-Gold Icosahedral Bimetallic Nanoclusters and Bulk Structures
Farid Taherkhani, Zohreh Parviz, , Alessandro Fortunelli
Journal of Physical Chemistry C
2015
93
H2adsorption on Ag-nanocluster/single-walled carbon nanotube composites: A molecular dynamics study on the effects of nanocluster size, diameter, and chirality of nanotube
, Amir Nasser Shamkhali
JOURNAL OF COMPUTATIONAL CHEMISTRY
2015
94
Melting behavior of (PdxPt1?x)n nanoclusters confined in single-walled carbon nanotubes: a molecular dynamics investigation on the effects of chirality and diameter of nanotubes, and size and composition of nanoclusters
, Amir Nasser Shamkhali
RSC Advances
2015
95
Disorder effect on heat capacity, self-diffusion coefficient, and choosing best potential model for melting temperature, in gold-copper bimetallic nanocluster with 55 atoms
Farid Taherkhani, , Mostafa Feyzi, Hamid Reza Rafiee
JOURNAL OF NANOPARTICLE RESEARCH
2015
96
Accurate melting temperatures for Ne nanoclusters and bulk from an effective two-body potential via molecular dynamics simulations
Mohsen Abbaspour,
FLUID PHASE EQUILIBRIA
2014
97
Adsorption of He gas on the Agn nanoclusters: A molecular dynamic study
, Mahmood Mohammadzadeh
FLUID PHASE EQUILIBRIA
2014
98
CO Adsorption on Ag Nanoclusters Supported on Carbon Nanotube: A Molecular Dynamics Study
, Hamzeh Yaghoubi, Amir Nasser Shamkhali, Farid Taherkhani
Journal of Physical Chemistry C
2014
99
Investigation of thermal behavior of graphite-supported Ag nanoclusters of different sizes using molecular dynamics simulations
, Hamzeh Yaghoubi, Sirous Salemi
FLUID PHASE EQUILIBRIA
2014
100
Molecular dynamics simulations of silver nanocluster supported on carbon nanotube
, Hamzeh Yaghoubi
JOURNAL OF COLLOID AND INTERFACE SCIENCE
2014
101
A molecular dynamics investigation of hydrogen adsorption on Ag-Cu bimetallic nanoclusters supported on a bundle of single-walled carbon nanotubes
Amir Nasser Shamkhali,
RSC Advances
2014
102
Effects of Gas Adsorption on the Graphite-Supported Ag Nanoclusters: A Molecular Dynamics Study
, Hamzeh Yaghoubi, Amir Nasser Shamkhali, Farid Taherkhani
Journal of Physical Chemistry C
2013
103
Permutation entropy and detrend fluctuation analysis for the natural complexity of cardiac heart interbeat signals
Farid Taherkhani, Maryam Rahmani, Fariborz Taherkhani, , Hadi Abroshan
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
2013
104
Intracellular viral infection kinetics using a stochastic approach
Farid Taherkhani, Fariborz Taherkhani, Hamed Rezania,
PROGRESS IN REACTION KINETICS AND MECHANISM
2013
105
Study of two dimensional anisotropic Ising models via a renormalization group approach
Farid Taherkhani, , Hadi Abroshan, Shahram Ranjbar, Alessandro Fortunelli, Gholamabbas Parsafar
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
2013
106
Cluster size dependence of surface energy of Ni nanoclusters: A molecular dynamics study
, Farid Taherkhani
CHEMICAL PHYSICS LETTERS
2013
107
Dependence of self-diffusion coefficient, surface energy, on size, temperature, and Debye temperature on size for aluminum nanoclusters
Farid Taherkhani, , Hadi Abroshan, Alessandro Fortunelli
FLUID PHASE EQUILIBRIA
2012
108
Spin coupling and magnetic field effects on the finite-size free energy and its non-extensivity for 1-D Ising model with nearest and next-nearest neighbor interactions in nanosystem
Farid Taherkhani, Hadi Abroshan, , Alessandro Fortunelli
PHASE TRANSITIONS
2012
109
Denaturation of Drew-Dickerson DNA in a high salt concentration medium: Molecular dynamics simulations
C. Izanloo, G. A. Parsafar, H. Abroshan,
JOURNAL OF COMPUTATIONAL CHEMISTRY
2011
110
On the existence of an analytic solution to the 1-D Ising model with nearest and next-nearest neighbor interactions in the presence of a magnetic field
Farid Taherkhani, Ebrahim Daryaei, Hadi Abroshan, , Gholamabbas Parsafar, Alessandro Fortunelli
PHASE TRANSITIONS
2011
111
Effect of water-methanol content on the structure of Nafion in the sandwich model and solvent dynamics in nano-channels; a molecular dynamics study
Hadi Abroshan, , Farid Taherkhani, Gholamabbas Parsafar
MOLECULAR PHYSICS
2011
112
Size dependence and effect of potential parameters on properties of nano-cavities in liquid xenon using molecular dynamics simulation
, Hadi Abroshan, Farid Taherkhani, Cobra Izanloo, Gholam Abbas Parsafar
CHEMICAL PHYSICS
2011
113
Calculation of thermodynamic properties of Ni nanoclusters via selected equations of state based on molecular dynamics simulations
, Hadi Abroshan, Farid Taherkhani, Gholam Abbas Parsafar
SOLID STATE COMMUNICATIONS
2011
114
Investigation of magnetic field effect on surface and finite-site free energy in one-dimensional Ising model of nanosystems
Farid Taherkhani, Hadi Abroshan, , Gholamabbas Parsafar, Alessandro Fortunelli
PHASE TRANSITIONS
2011
115
Molecular dynamics simulation and MM-PBSA calculations of sickle cell hemoglobin in dimer form with Val, Trp, or Phe at the lateral contact
Hadi Abroshan, , Golam Abbas Parsafar
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
2010
116
Surface free energy of platinum nanoparticles at zero pressure: A molecular dynamic study
, Hadi Abroshan, Gholam Abbas Parsafar
SOLID STATE COMMUNICATIONS
2010
117
Effect of a monomeric sequence on the structure of hydrated Nafion in the sandwich model and solvent dynamics in nano-channels: a molecular dynamic study
Hadi Abroshan, , Farid Taherkhani, Gholamabbas Parsafar
MOLECULAR PHYSICS
2010
118
A molecular-dynamics study of thermal and physical properties of platinum nanoclusters
, Gholam Abbas Parsafar
FLUID PHASE EQUILIBRIA
2009
119
Using molecular dynamic simulation data of calcite in a wide pressure range to calculate some of its thermodynamic properties via some universal equations of state
, Mohammad Shokouhi, Gholam Abbas Parsafar
MOLECULAR PHYSICS
2008