Year :2024

Published in :Effect of water and ionic liquid vapors on the structural properties of gold nanoclusters formed during inert-gas condensation process using molecular dynamics simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Effect of water and ionic liquid vapors on the structural properties of gold nanoclusters formed during inert-gas condensation process using molecular dynamics simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Density functional theory and molecular dynamics simulation of water molecules confined between parallel graphene oxide surfaces using new interaction potentials

Title of publication:Physica Scripta

Published in :Density functional theory and molecular dynamics simulation of water molecules confined between parallel graphene oxide surfaces using new interaction potentials

Title of publication:Physica Scripta

Year :2023

Published in :CO2/CH4 Gas Separation by Polyoxometalate Ionic Liquid Confined in Carbon Nanotubes Using Molecular Dynamics Simulation

Title of publication:Industrial and Engineering Chemistry Research

Published in :Molecular dynamics simulation of desalination process using polyoxometalate ionic liquid confined in carbon nanotubes

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Molecular dynamics simulation of Pt@Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence

Title of publication:JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T

Published in :CO2/CH4 Gas Separation by Polyoxometalate Ionic Liquid Confined in Carbon Nanotubes Using Molecular Dynamics Simulation

Title of publication:Industrial and Engineering Chemistry Research

Published in :Polyoxometalate ionic liquid between graphene oxide surfaces as a new membrane in the desalination process: a molecular dynamics study

Title of publication:Physical Chemistry Chemical Physics

Published in :Molecular dynamics simulation of Pt@Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence

Title of publication:JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T

Published in :Molecular dynamics simulation of desalination process using polyoxometalate ionic liquid confined in carbon nanotubes

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Investigation of small inhibitor effects on methane hydrate formation in a carbon nanotube using molecular dynamics simulation

Title of publication:RSC Advances

Year :2022

Published in :Investigation of thermodynamics, and structural, dynamical, and electrical properties of polyoxometalate ionic liquid confined into carbon nanotubes during the melting process using molecular dynamics simulation†

Title of publication:RSC Advances

Published in :Yolk-shell nanoparticles with different cores: A molecular dynamics study

Title of publication:Colloids and Surfaces A: Physicochemical and Engineering Aspects

Published in :Concave Pd-M (M = Co, Ni, Cu, Rh, Ag, Ir, Pt, and Au) nanocubes explored by molecular dynamics simulations: A liquid-like expansion mechanism

Title of publication:Applied Surface Science

Published in :Formation of methane clathrates into fullerene: A molecular dynamics study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Boron Nitride- and Graphene-Supported Trimetallic Yolk-Shell and Hollow Nanoparticles

Title of publication:Industrial and Engineering Chemistry Research

Published in :Investigation of doped carbon nanotubes on desalination process using molecular dynamics simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Thermal Stability and Melting Mechanism of Diamond Nanothreads: Insight from Molecular Dynamics Simulation

Title of publication:Colloids and Surfaces A: Physicochemical and Engineering Aspects

Published in :Ag, Au, Pt, and Au-Pt nanoclusters in [N1114][C1SO3] ionic liquid: A molecular dynamics study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Year :2021

Published in :Investigation of thermal properties of phase change materials encapsulated into capped carbon nanotubes using molecular dynamics simulations

Title of publication:RSC Advances

Published in :Structure, dynamics, and morphology of nanostructured water confined between parallel graphene surfaces and in carbon nanotubes by applying magnetic and electric fields

Title of publication:Soft Matter

Published in :Molecular dynamics simulation of carbon peapod-like nanomaterials in desalination process

Title of publication:DESALINATION

Published in :Melting Behavior of Bimetallic and Trimetallic Nanoparticles: A Review of MD Simulation Studies

Title of publication:Topics in Current Chemistry

Published in :Phase transitions in nanostructured water confined in carbon nanotubes by external electric and magnetic fields: a molecular dynamics investigation

Title of publication:RSC Advances

Published in :Molecular dynamics simulation of carbon peapod-like nanomaterials in desalination process

Title of publication:DESALINATION

Published in :Investigation of thermal properties of phase change materials encapsulated into capped carbon nanotubes using molecular dynamics simulations

Title of publication:RSC Advances

Published in :Structure, dynamics, and morphology of nanostructured water confined between parallel graphene surfaces and in carbon nanotubes by applying magnetic and electric fields

Title of publication:Soft Matter

Published in :Phase transitions in nanostructured water confined in carbon nanotubes by external electric and magnetic fields: a molecular dynamics investigation

Title of publication:RSC Advances

Year :2020

Published in :Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B‑, N‑, and Si-Doped Graphene Surfaces and Carbon Nanotubes

Title of publication:Industrial and Engineering Chemistry Research

Published in :Surface energy, relative stability, and structural properties of Au-Pt, Au-Rh, Au-Cu, and Au-Pd nanoclusters created in inert-gas condensation process using MD simulation

Title of publication:JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Published in :Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B‑, N‑, and Si-Doped Graphene Surfaces and Carbon Nanotubes

Title of publication:Industrial and Engineering Chemistry Research

Published in :Stability Pd@Void@M (M=Ni, Ag, and Pt) Yolk-Shell Nanoparticles Controlled by Structural Factors: A Molecular Dynamics Perspective

Title of publication:Colloids and Surfaces A: Physicochemical and Engineering Aspects

Published in :Surface energy, relative stability, and structural properties of Au-Pt, Au-Rh, Au-Cu, and Au-Pd nanoclusters created in inert-gas condensation process using MD simulation

Title of publication:JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Year :2019

Published in :A comparative study of graphite and CNT supported Au-Ag, Au-Pd, Au-Pt and Au-Rh nanoalloys using MD simulation

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Molecular Dynamics Simulation of Anticancer Drug Delivery from Carbon Nanotube Using Metal Nanowires

Title of publication:JOURNAL OF COMPUTATIONAL CHEMISTRY

Published in :Investigation of temperature and pressure effects on thermodynamics and structural properties of gold nanoparticles formed during the gas condensation procedure

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Year :2018

Published in :Au–Ir nanoalloy nucleation during the gas-phase condensation: a comprehensive MD study including different effects

Title of publication:Inorganic Chemistry Frontiers

Published in :Unexpected Trend for Thermodynamic Stability of Au@void@AgAu Yolk-Shell Nanoparticles: a Molecular Dynamics Study

Title of publication:APPLIED SURFACE SCIENCE

Published in :Ag–Au nanoparticles encapsulated inside porous hollow carbon nanospheres: a molecular dynamics study

Title of publication:NEW JOURNAL OF CHEMISTRY

Published in :Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations

Title of publication:JOURNAL OF ALLOYS AND COMPOUNDS

Published in :Au–Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition

Title of publication:NEW JOURNAL OF CHEMISTRY

Published in :AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: Insights from Atomistic Simulations

Title of publication:Inorganic Chemistry Frontiers

Published in :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

Title of publication:INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Published in :Thermodynamic, structural, and dynamical properties of nano-confined water using SPC/E and TIP4P models by molecular dynamics simulations

Title of publication:NEW JOURNAL OF CHEMISTRY

Published in :Nucleation, coalescence, thermal evolution, and statistical probability of formation of Au/Ir/Pd nanoalloys in gas-phase condensation process

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Pt–Co Nanocluster in Hollow Carbon Nanospheres

Title of publication:JOURNAL OF COMPUTATIONAL CHEMISTRY

Published in :Formation of methane clathrates in carbon nanotubes: a molecular dynamics study

Title of publication:NEW JOURNAL OF CHEMISTRY

Published in :Molecular Dynamics Simulation of Liquid Water and Ice Nanoclusters Using a New Effective HFD-Like Model

Title of publication:JOURNAL OF COMPUTATIONAL CHEMISTRY

Published in :Investigation of different effects on the capacity of supercapacitor comprising an ionic liquid between graphene oxide nanosheets

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Stability Control of AgPd@Pt Trimetallic Nanoparticles via Ag−Pd Core Structure and Composition: A Molecular Dynamics Study

Title of publication:INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Year :2017

Published in :Density-dependent phase transition in nano-confinement water using molecular dynamics simulation

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Injection of mixture of shale gases in a Nanoscale pore of graphite and their displacement by CO2/N2 gases using molecular dynamics study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :New Molecular Insight into the Stability of Ni-Pd Hollow Nanoparticles

Title of publication:Inorganic Chemistry Frontiers

Published in :Au@Pt and Pt@Au nanoalloys in the Icosahedral and Cuboctahedral Structures: Which is more Stable?

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Competition between Stability of Icosahedral and Cuboctahedral morphologies in Bimetallic Nanoalloys

Title of publication:Physical Chemistry Chemical Physics

Published in :Effect of Pressure on Some Properties of Ag@Pd and Pd@Ag Nanoclusters

Title of publication:JOURNAL OF ALLOYS AND COMPOUNDS

Published in :Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Structural Evolution of Pt/Pd Nanoparticles in Condensation Process

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Au@void@AgAu Yolk-Shell Nanoparticles with Dominant Strain Effects: a Molecular Dynamics Simulation

Title of publication:Journal of Physical Chemistry Letters

Published in :Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study

Title of publication:Molecular Pharmaceutics

Published in :Dynamical investigation of formation of Ni-Pt Nanoclusters in Gas Phase

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Different morphologies of aluminum nanoclusters: Effect of pressure on solid-liquid phase transition of the nanoclusters using molecular dynamics simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Some properties of solid helium and helium nanoclusters using the effective HFD-like interaction potential: Adsorption and desorption inside carbon nanotube

Title of publication:PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Published in :Coalescence Process of Gold/Silver Core-Shell Nanoparticles Located on Carbon Nanotube and Graphene Surfaces

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Effect of Support on the Coalescence between Ag@Au Nanoalloys using MD Simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :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

Title of publication:JOURNAL OF COLLOID AND INTERFACE SCIENCE

Published in :A Comprehensive Molecular Dynamics investigation on Confinement of PtnCum Nanoclustersinside Carbon Nanotubes

Title of publication:COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Year :2016

Published in :A comprehensive study of methane/carbon dioxide adsorptive selectivity in different bundle nanotubes

Title of publication:RSC Advances

Published in :Effect of Pt addition to AgeAu bimetallic nanoclusters: A molecular dynamics study of AgeAuePt ternary system

Title of publication:JOURNAL OF ALLOYS AND COMPOUNDS

Published in :Investigation of thermal, structural and dynamical properties of (Aux-Cuy-Niy)N=32,108,256ternary nanosystems: Effect of Au addition to Cu-Ni bimetallic nanoclusters via MD simulation

Title of publication:RSC Advances

Published in :Molecular dynamics simulation of noble gas adsorption on graphite: New effective potentials including many-body interactions

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :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

Title of publication:RSC Advances

Published in :Carbon monoxide adsorption on the single-walled carbon nanotube supported gold–silver nanoalloys

Title of publication:NEW JOURNAL OF CHEMISTRY

Published in :Equation of state and some structural and dynamical properties of the confined Lennard-Jones fluid into carbon nanotube: A molecular dynamics study

Title of publication:PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Published in :A Modified Thermodynamic Insight to Deliquescence of a Void-Containing Nanocrystal Confirmed by MD Simulation

Title of publication:AICHE JOURNAL

Published in :AunPdm Nanoclusters supported on Bundles of Nanotubes and Graphite surface: a Comprehensive Molecular Dynamics Study

Title of publication:JOURNAL OF ALLOYS AND COMPOUNDS

Published in :Investigation of size dependence of the properties of Cu nanoclusters using molecular dynamics simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :A Molecular Dynamics Study of the Effect of Substrate on the Thermodynamic Properties of Bounded Pt-Cu Bimetallic Nanoclusters

Title of publication:Physical Chemistry Chemical Physics

Published in :Effects of pressure, nanoalloy size, and nanoalloy mole fraction on melting of Ir-Rh nanoalloys using molecular dynamics simulations

Title of publication:JOURNAL OF ALLOYS AND COMPOUNDS

Published in :Propene Adsorption on Gold-Palladium Nanoalloys Supported on Bundle Nanotubes

Title of publication:RSC Advances

Published in :Phase Transition in Crown-Jewel Structured Au-Ir Nanoalloys with Different Shapes: A Molecular Dynamics Study

Title of publication:Physical Chemistry Chemical Physics

Published in :Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Investigation of Melting and Freezing of Ag-Au Alloy Nanoclusters Supported on Carbon Nanotube using Molecular Dynamics Simulations

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Mo Nanocluster under High Pressure: A Molecular Dynamics Study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Year :2015

Published in :A new and accurate expression for the radial distribution function of confined Lennard-Jones fluid in carbon nanotubes

Title of publication:RSC Advances

Published in :Investigation of thermal evolution of copper nanoclusters encapsulated in carbon nanotube: A molecular dynamics study

Title of publication:Physical Chemistry Chemical Physics

Published in :Investigation of the melting of ionic liquid [emim] [PF6] confined inside carbon nanotubes using molecular dynamics simulations

Title of publication:RSC Advances

Published in :Effective potential for many-body interactions in some properties of the HFD-like solids

Title of publication:PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Published in :Molecular dynamics investigation on the deliquescence of NH4Cl and NH4NO3 nanoparticles under atmospheric conditions

Title of publication:RSC Advances

Published in :Effects of diameter and chirality on structural and dynamical behavior of [EMIM][PF6] encapsulated in carbon nanotube: A molecular dynamics study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Investigation of Thermodynamic, Dynamic and Structural properties of H2 Adsorption on Ag-Au Nanoalloy Supported on Carbon Nanotube

Title of publication:CHEMPHYSCHEM

Published in :Size dependence of the equation of state for Ne nanoclusters from an effective two-body potential via molecular dynamics simulations

Title of publication:RSC Advances

Year :2014

Published in :Accurate melting temperatures for Ne nanoclusters and bulk from an effective two-body potential via molecular dynamics simulations

Title of publication:FLUID PHASE EQUILIBRIA

Published in :An extended expression for the radial distribution function of HFD-like fluid for investigation of many-body and quantum effects in some transport properties

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Accurate equations of state for CF4, CF4–Ar, and CF4–CH4 fluids using two-body and three-body intermolecular potentials from molecular dynamics simulation

Title of publication:JOURNAL OF FLUORINE CHEMISTRY

Published in :Extended many-body potential of Hauschild and Prausnitz for pure HFD-like fluids

Title of publication:PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Published in :Equation of state, elastic constants, and melting curve of solid neonusing an effective two-body potential including quantum corrections

Title of publication:FLUID PHASE EQUILIBRIA

Published in :New inversion and ab initio intermolecular potentials for supercriticalfluorine: Calculation of some properties and MD simulationS

Title of publication:JOURNAL OF SUPERCRITICAL FLUIDS

Year :2010

Published in :Computation of some thermodynamic transport, structural properties, and new equation of state for fluid neon using a new intermolecular potential from molecular dynamics simulation

Title of publication:THEORETICAL CHEMISTRY ACCOUNTS

Published in :Computation of some thermodynamic, structural, and transport properties of fluid oxygen using two-body and three-body intermolecular potentials from molecular dynamics simulation

Title of publication:CHEMICAL PHYSICS

Published in :Computation of some thermodynamic properties of helium-neon and helium-krypton fluid mixtures using molecular dynamics simulation

Title of publication:FLUID PHASE EQUILIBRIA

Year :2009

Published in :Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation

Title of publication:CHEMICAL PHYSICS

Published in :Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study

Title of publication:THEORETICAL CHEMISTRY ACCOUNTS

Year :2006

Published in :Determination of potential energy functions of CO–CO, CO2–CO2, and N2O–N2O and calculation of their transport properties

Title of publication:CHEMICAL PHYSICS

Published in :Molecular Dynamics Simulation of Argon, Krypton, and Xenon Using Two-Body and Three-Body Intermolecular Potentials

Title of publication:Journal of Chemical Theory and Computation

Published in :Prediction of surface tension of HFD-like fluids using the Fowler approximation

Title of publication:CHEMICAL PHYSICS

Published in :Determination of potential energy functions and calculation transport properties of oxygen and nitric oxide via the inversion of reduced viscosity collision integrals at zero pressure

Title of publication:CHEMICAL PHYSICS

Year :2005

Published in :New regularities and an equation of state for liquids

Title of publication:FLUID PHASE EQUILIBRIA

Published in :An accurate expression for radial distribution function of the Lennard-Jones fluid

Title of publication:CHEMICAL PHYSICS

Year :2003

Published in :Determination of Potential Energy Function of CF4 – CF4 via the Inversion of Reduced Viscosity Collision Integrals at Zero Pressure

Title of publication:INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Published in :Determination of potential energy function of methane via the inversion of reduced viscosity collision integrals at zero pressure

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation ' in 0000'

سیزدهمین سمینار شیمی فیزیک ایران

book in 2020

پدیده های سطحی در مقیاس نانو

Publisher :