Year :2023

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

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

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 :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

Year :2021

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 :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

Year :2019

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

Title of publication:JOURNAL OF COMPUTATIONAL CHEMISTRY

Year :2018

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

Title of publication:NEW JOURNAL OF CHEMISTRY

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

Title of publication:NEW JOURNAL OF CHEMISTRY

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

Year :2017

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

Title of publication:Journal of Physical Chemistry Letters

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

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

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 :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

Year :2016

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

Title of publication:NEW JOURNAL OF CHEMISTRY

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

Title of publication:AICHE JOURNAL

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 :Nano-confined ionic liquid [emim][PF6] between graphite sheets: A molecular dynamics study

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Year :2015

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

Title of publication:RSC Advances

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

Title of publication:CHEMPHYSCHEM

Year :2014

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

Published in :Investigation of thermal behavior of graphite-supported Agnanoclusters of different sizes using molecular dynamics simulations

Title of publication:FLUID PHASE EQUILIBRIA

Year :2013

Published in :Synthesis, computational study and binding properties of some structurally rigid glycoluril-derived molecular clips

Title of publication:Journal of Inclusion Phenomena and Molecular Recognition in Chemistry

Year :2011

Published in :Structure, intramolecular hydrogen bonding, and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Published in :Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Published in :Conformational stability, molecular structure, intramolecular hydrogen bonding,

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Year :2010

Published in :Structure, intramolecular hydrogen bonding, and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Year :2008

Published in :Theoretical study of solvent effects on the conformational preference in CH2FWH (W=O, S) using PCM and IPCM methods

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Published in :Theoretical study of solvent effects on the conformational preference in CH2FWH (W=O, S) using PCM and IPCM methods

Title of publication:JOURNAL OF MOLECULAR LIQUIDS

Year :2006

Published in :Vibrational assignment and structure of benzoylacetone: A density functional theoretical study

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Published in :Vibrational assignment and structure of benzoylacetone: A density functional theoretical study

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Year :2004

Published in :Molecular structure and vibrational assignment of dimethyl oxaloacetate

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Published in :Molecular structure and vibrational assignment of dimethyl oxaloacetate

Title of publication:JOURNAL OF MOLECULAR STRUCTURE

Molecular Dynamics Simulations of the Adsorption of Binary Mixtures of CO2 and CH4 on Carbon Nanotubes ' in 2014'

17th Iranian Physical Chemistry C onference

Axial and Radial Pressure of [Emim+][PF6−] inside a Carbon Nanotube ' in 2014'

17th Iranian Physical Chemistry Conference

Molecular Dynamics Simulations of Carbon Nanotube Dispersions in [EMIM][PF6] ' in 2014'

17th Iranian Physical Chemistry Conference

Melting Transition of Ionic Liquid [Emim+][PF6−] Confined in Carbon Nanotubes: A Molecular Dynamics Simulation ' in 2014'

17th Iranian Physical Chemistry Conference

A computational study on allosteric behavior of two glycoluril-derived tritopic receptors ' in 2011'

پانزدهمین کنگره شیمی ایران

Geometry optimization,and binding properties of some Glycoluril hosts ' in 2011'

پانزدهمین کنگره شیمی ایران

Vabtational assignment of benzoylaceton:a dansity functional theoretical study ' in 0000'

Worhld chemisrty congress

Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione ' in 0000'

سیزدهمین کنفرانس شیمی فیزیک ایران

Intermolecular hydrogen bondhng and vibrational sprctera of 2,2,6,6 tetramethyl-3,5-heptanedione ' in 0000'

Iranian Physical Chemistry

Synthesis and geometry optimization of new crown ether-containing glycoluril clips ' in 0000'

17th Iranian Seminar of Organic Chemistry

effect of t-butyl substin b position on the enol-keto equilibrium and intramolecular hydrogen bond strength of b-dicarbonyl: a vibrational spectroscopy and dft study ' in 0000'

YoungChem 2010

Determination of gold by electrothermal atomic absorption spectrometry. ' in 0000'

IUPAC, Word Chemistry Congress.

Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione ' in 0000'

Iranian physical chemistry seminar

Molecular structure and vibrational assignment of DMOA. ' in 0000'

Synthesis and geometry optimization of new crow ether-containing glycoluril clips ' in 0000'

Iranian Organic Chemistry

Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl ' in 0000'

سیزدهمین کنفرانس شیمی فیزیک ایران

Determination of trace amounts of silver by flame atomic absorption spectrometry. ' in 0000'

IUPAC, Word Chemistry Congress.

Eeeect of t-butyl substititution in beta position on the enol-keto equilibrium and intramolecular hydrogen bond strength of ... ' in 0000'

Yongchemist2010

Determination of arsenic by electrothermal atomic absorption spectrometry. ' in 0000'

IUPAC, Word Chemistry Congress.

book in 2010

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