M. H. Kowsari Research Group

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Publications in Peer Reviewed Journals        [MH Kowsari Google Scholar link]

[2008]...[2019]


[2019]

Z. Pouramini, A. Mohebbi, M. H. Kowsari;
The Possibility of Cadmium Extraction to the Ionic Liquid 1-Hexyl-3-methylimidazolium Hexafluorophosphate in the Presence of Hydrochloric Acid: a Molecular Dynamics Study of the Water–IL Interface
Theor. Chem. Acc., 138: 99 (2019), [link].

H. Mosaddeghi, S. Alavi, M. H. Kowsari, B. Najafi, S. Az’hari, Y. Afshar;
“Molecular dynamics simulations of nano-confined methanol and methanol-water mixtures between infinite graphite plates: structure and dynamics
J. Chem. Phys., 150, 144510 (2019) [link].

Soraya Ebrahimi, M. H. Kowsari;
"
Fine Probing the Effect of Replacing [PF6] with [PF3(C2F5)3] on the Local Structure and Nanoscale Organization of [bmim]+-Based Ionic Liquids Using MD Simulation"

Phys. Chem. Chem. Phys., 21, 3195-3210 (2019) [link].

[2018]

M. H. Kowsari, Leila Tohidifar;
"
Systematic evaluation and refinement of existing all‐atom force fields for the simulation of liquid acetonitrile"
Accepted Manuscript in J. Comput. Chem., 39, 1843-1853 (2018) [link].
The Cover Image related to this paper published on issue 23, vol. 39, 24 September 2018, on J. Comput. Chem.

M. H. Kowsari, Soraya Ebrahimi;
"
Capturing the effect of [PF3(C2F5)3] vs. [PF6], flexible anion vs. rigid, and scaled charge vs. unit on the transport properties of [bmim]+-based ionic liquids: a comparative MD study"

Phys. Chem. Chem. Phys., 20, 13379-13393 (2018) [link].

M. H. Kowsari;
"Single-component structural correlation and self-diffusion of N2 and O2 through nanopores of Li-LSX zeolite: the role of temperature, loading, and Li-III cations"
Micropor. Mesopor. Mater.,264, 181-189 (2018), [link].

[2017]

M. H. Kowsari, Azam Ganjkhanloo;

"Structure and Thermodynamic Properties of Imidazolium-Based Ionic Liquids with Dicyanamide Anion: A Molecular Dynamics Study"
Articles in Press, Accepted Manuscript in Nashrieh Shimi va Mohandesi Shimi Iran (NSMSI), in Persian language, Available Online from 01 November 2017, [link].

M. H. Kowsari, Seyed Mohammad Torabi;

"Molecular Dynamics Simulation of the 1-Butyl-3-methylimidazolium Nitrate Ionic Liquid and the Dynamical Behavior of the Ionic Liquid-Water Binary Mixtures"
Articles in Press, Accepted Manuscript in Nashrieh Shimi va Mohandesi Shimi Iran (NSMSI), in Persian language, Available Online from 01 November 2017, [link].

Z. Pouramini, A. Mohebbi, M. H. Kowsari;
"Atomistic insights into the thermodynamics, structure, and dynamics of ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate via molecular dynamics study"
J. Mol. Liq., 246, 39-47 (2017), [link].

M. H. Kowsari;
"Tracing Experimentally Compatible Dynamical and Structural Behavior of Atmospheric N2/O2 Binary Mixtures within Nanoporous Li–LSX Zeolite: New Insights to Influence of Extra-Framework Cations by MD Simulations"
J. Phys. Chem. C, 121 (3), 1770-1780 (2017), [link].

M. H. Kowsari, Shabnam Naderlou;
"Understanding the dynamics, self-diffusion, and microscopic structure of hydrogen inside the nanoporous Li-LSX zeolite"
Micropor. Mesopor. Mater., 140, 39-49 (2017), [link].

[2016]

M. H. Kowsari, Leila Tohidifar;
“Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations”
J. Phys. Chem. B, 120 (41), 10824-10838 (2016), [link].

[2015]

M. H. Kowsari, M. Fakhraee;
 Influence of Butyl Side Chain Elimination, Tail Amine Functional Addition, and C2 Methylation on the Dynamics and Transport Properties of the Imidazolium-Based [Tf2N] Ionic Liquids from Molecular Dynamics Simulations
J. Chem. Eng. Data, 60 (3), 551-560 (2015), [link].

[2014]

M. H. Kowsari, M. Fakhraee, S. Alavi, B. Najafi;
Molecular Dynamics and ab Initio Studies of the Effects of Alkyl / Functional Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-Based [Tf2N] Ionic Liquids
J. Chem. Eng. Data, 59 (9), 2834-2849 (2014), [link].
 

[2012]

H. Mosaddeghi, S. Alavi, M. H. Kowsari, B. Najafi;
Simulations of structural and dynamic anisotropy in nano-confined water between parallel graphite plates
J. Chem. Phys., 137, 184703 (2012), [link].

S. E. Balaghi,
E. Safaei, M. Rafiee, M. H. Kowsari;
A chloro bridged Cu(II)-Cu(II) complex of a new aminophenol ligand: magnetostructural, radical decay kinetic studies, highly efficient and aerial alcohol oxidation
Polyhedron, Elsevier, 47, 94-103 (2012), [link]. (One of the top 25 hottest articles in Polyhedron, October to December 2012)

I. Saberikia, E. Safaei, M. H. Kowsari, Y-I. Lee, P. Cotic, G. Bruno, H. A. Rudbari;
A new iron(III) complex of glycine derivative of amine-chloro substituted phenol ligand: synthesis, characterization and catechol dioxygenase activity
Journal of Molecular Structure, Elsevier, 1029, 60-67 (2012), [link].

[2011]

M. H. Kowsari, S. Alavi, B. Najafi, K. Gholizadeh, E. Dehghanpisheh and F. Ranjbar;
Molecular Dynamics Simulations of Structure and Transport Properties of tetra-butylphosphonium Amino Acid Ionic Liquids
Phys. Chem. Chem. Phys., 13, 8826-8837 (2011), [link].


[2010]

M. H. Kowsari, Saman Alavi, Mahmud Ashrafizaadeh, and Bijan Najafi;
Molecular dynamics study of congruent melting of the equimolar ionic liquid–benzene inclusion crystal [emim][NTf2]•C6H6
J. Chem. Phys., 132, 044507 (2010), [link].


[2009]

M. H. Kowsari, Saman Alavi, Mahmud Ashrafizaadeh, and Bijan Najafi;
Molecular Dynamics Simulation of Imidazolium-Based Ionic Liquids: II. Transport Coefficients”
J. Chem. Phys., 130, 014703 (2009), [link].


[2008]

M. H. Kowsari, Saman Alavi, Mahmud Ashrafizaadeh, and Bijan Najafi;
Molecular Dynamics Simulation of Imidazolium-Based Ionic Liquids: I. Dynamics and Diffusion Coefficient”
J. Chem. Phys., 129, 224508 (2008), [link].