نتائج البحث - "Moosavi, Majid"

1

Academic Journal

Multiscale modeling of CO2 capture in dicationic ionic liquids: Evaluating the influence of hydroxyl groups using DFT-IR, COSMO-RS, and MD simulation methods.

المؤلفون: Torkzadeh, Mehrangiz¹ (AUTHOR), Moosavi, Majid¹ (AUTHOR) m.mousavi@sci.ui.ac.ir

المصدر: Journal of Chemical Physics. 4/21/2024, Vol. 160 Issue 15, p1-17. 17p.

مصطلحات موضوعية: *HYDROXYL group, *MULTISCALE modeling, *VAN der Waals forces, *CO-combustion, *IONIC liquids, *ION-ion collisions, *BLOOD substitutes

2

Academic Journal

Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findings.

المؤلفون: Memar, Zahra Ostadsharif¹ (AUTHOR), Moosavi, Majid¹ (AUTHOR) m.mousavi@sci.ui.ac.ir

المصدر: Journal of Chemical Physics. 12/28/2023, Vol. 159 Issue 24, p1-21. 21p.

مصطلحات موضوعية: *IONIC liquids, *RADIAL distribution function, *ION pairs, *SYSTEM dynamics, *POWER spectra

3

Academic Journal

Comparative assessment of the performance of density functionals and dispersion correction on different properties of dicationic ionic liquids - an ab initio molecular dynamics (AIMD) study.

المؤلفون: Memar, Zahra Ostadsharif, Moosavi, Majid

المصدر: Physical Chemistry Chemical Physics (PCCP); 10/28/2024, Vol. 26 Issue 40, p26109-26128, 20p

4

Academic Journal

DFT and COSMO-RS studies on dicationic ionic liquids (DILs) as potential candidates for CO 2 capture: the effects of alkyl side chain length and symmetry in cations

المؤلفون: Torkzadeh, Mehrangiz, Moosavi, Majid

المساهمون: Iran National Science Foundation, University of Isfahan

المصدر: RSC Advances ; volume 12, issue 54, page 35418-35435 ; ISSN 2046-2069

الاتاحة: http://dx.doi.org/10.1039/d2ra05805g
http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA05805G

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5

Academic Journal

CO2 capture using dicationic ionic liquids (DILs): Molecular dynamics and DFT-IR studies on the role of cations.

المؤلفون: Torkzadeh, Mehrangiz¹ (AUTHOR), Moosavi, Majid¹ (AUTHOR) m.mousavi@sci.ui.ac.ir

المصدر: Journal of Chemical Physics. 1/14/2023, Vol. 158 Issue 2, p1-19. 19p.

مصطلحات موضوعية: *MOLECULAR dynamics, *IONIC liquids, *COMPUTER-assisted molecular design, *CATIONS, *DENSITY functional theory, *REDSHIFT

6

Academic Journal

Unraveling the structural and dynamic heterogeneities of hydroxyl-functionalized di-cationic ionic liquids (HFDILs): An integrated ab initio and molecular dynamics approach

المؤلفون: Torkzadeh, Mehrangiz, Moosavi, Majid, Rezaee, Shaghayegh

المصدر: Journal of Molecular Liquids ; volume 393, page 123568 ; ISSN 0167-7322

الاتاحة: http://dx.doi.org/10.1016/j.molliq.2023.123568
https://api.elsevier.com/content/article/PII:S0167732223023747?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0167732223023747?httpAccept=text/plain

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7

Academic Journal

Molecular dynamics investigation of ionanofluids (INFs): Towards a deeper understanding of their thermophysical, structural and dynamical properties

المؤلفون: Moosavi, Majid, Torkzadeh, Mehrangiz, Akbarinezhad, Zahra

المصدر: Journal of Molecular Liquids ; volume 399, page 124355 ; ISSN 0167-7322

الاتاحة: http://dx.doi.org/10.1016/j.molliq.2024.124355
https://api.elsevier.com/content/article/PII:S0167732224004112?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0167732224004112?httpAccept=text/plain

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8

Academic Journal

Copper mass flux and evolution of supergene orebody in the Miduk Porphyry Copper Deposit, Iran, and its application to exploration of exotic deposits

المؤلفون: Arabpour, Alireza, Mirnejad, Hassan, Asghari, Omid, Moosavi, Majid

المصدر: Ore Geology Reviews ; volume 139, page 104529 ; ISSN 0169-1368

الاتاحة: http://dx.doi.org/10.1016/j.oregeorev.2021.104529
https://api.elsevier.com/content/article/PII:S0169136821005552?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0169136821005552?httpAccept=text/plain

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9

Academic Journal

Physisorption of biodegradable choline-based ionic liquids (CBILs) and their aqueous solutions on 2D titanium carbide (MXene) nanosheets as promising media in energy storage systems

المؤلفون: Moosavi, Majid, Torkzadeh, Mehrangiz, Nikpour, Amir

المصدر: Journal of Molecular Liquids ; volume 382, page 121768 ; ISSN 0167-7322

الاتاحة: http://dx.doi.org/10.1016/j.molliq.2023.121768
https://api.elsevier.com/content/article/PII:S0167732223005718?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0167732223005718?httpAccept=text/plain

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10

Academic Journal

Uncovering the Properties of Dicationic Ionic Liquid Nanodroplets through Ab Initio Molecular Dynamics Simulations

المؤلفون: Memar, Zahra Ostadsharif, Moosavi, Majid

المساهمون: University of Isfahan

المصدر: The Journal of Physical Chemistry B ; volume 127, issue 42, page 9111-9131 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.3c03585
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c03585

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11

Academic Journal

Cysticercosis in Lamb and Goat Meat and Edible Offal Produced In an Abattoir in Iran in 2021.

المؤلفون: Arji, Fatemeh, Nikoosokhan, Mohammadmehdi, Moosavi, Majid, Rezaeigolestani, Mohammadreza

المصدر: Journal of Nutrition, Fasting & Health; Autumn2023, Vol. 11 Issue 4, p325-330, 6p

مصطلحات موضوعية: CYSTICERCOSIS, GOAT meat, LAMB meat industry, ZOONOSES, SLAUGHTERING

مصطلحات جغرافية: IRAN

12

Academic Journal

A combined QTAIM, DFT and molecular dynamics study on the nanoscale dynamical and structural organization of imidazolium-based dicationic ionic liquids

المؤلفون: Ostadsharif Memar, Zahra, Moosavi, Majid

المصدر: Journal of Molecular Liquids ; volume 365, page 120186 ; ISSN 0167-7322

الاتاحة: http://dx.doi.org/10.1016/j.molliq.2022.120186
https://api.elsevier.com/content/article/PII:S0167732222017251?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0167732222017251?httpAccept=text/plain

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13

Academic Journal

Application of the extended LJ potential-based equation of state to predict the density of five different classes of refrigerant systems (HCFCs, HFCs, HFEs, PFAs, and PFAAs)

المؤلفون: Abareshi, Maryam, Moosavi, Majid

المساهمون: Iran National Science Foundation (INSF)

المصدر: Physics and Chemistry of Liquids ; volume 54, issue 4, page 487-498 ; ISSN 0031-9104 1029-0451

الاتاحة: https://doi.org/10.1080/00319104.2015.1115326
http://www.tandfonline.com/doi/pdf/10.1080/00319104.2015.1115326

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14

Academic Journal

A combined molecular dynamics simulation and quantum mechanics study on the physisorption of biodegradable CBNAILs on h-BN nanosheets.

المؤلفون: Torkzadeh, Mehrangiz¹, Moosavi, Majid¹

المصدر: Journal of Chemical Physics. 8/21/2018, Vol. 149 Issue 7, pN.PAG-N.PAG. 14p. 4 Diagrams, 5 Charts, 5 Graphs.

مصطلحات موضوعية: *MOLECULAR dynamics, *QUANTUM mechanics, *PHYSISORPTION, *BIODEGRADABLE materials, *BORON nitride, *PHYSICS experiments, *ORIENTATION (Chemistry)

15

Academic Journal

Molecular dynamics simulation of extractive desulfurization of diesel oil model using magnetic ionic liquids

المؤلفون: Daneshvar, Azadeh, Moosavi, Majid

المصدر: Fluid Phase Equilibria ; volume 548, page 113189 ; ISSN 0378-3812

الاتاحة: http://dx.doi.org/10.1016/j.fluid.2021.113189
https://api.elsevier.com/content/article/PII:S0378381221002521?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0378381221002521?httpAccept=text/plain

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16

Academic Journal

Heterogeneity in microstructures and dynamics of dicationic ionic liquids with symmetric and asymmetric cations

المؤلفون: Torkzadeh, Mehrangiz, Moosavi, Majid

المصدر: Journal of Molecular Liquids ; volume 330, page 115632 ; ISSN 0167-7322

الاتاحة: http://dx.doi.org/10.1016/j.molliq.2021.115632
https://api.elsevier.com/content/article/PII:S0167732221003573?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0167732221003573?httpAccept=text/plain

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17

Academic Journal

Prediction of thermodynamic properties of some polymeric systems using an extended LJ potential-based equation of state up to high temperature–high pressure conditions

المؤلفون: Moosavi, Majid

المصدر: Physics and Chemistry of Liquids ; volume 53, issue 3, page 360-375 ; ISSN 0031-9104 1029-0451

الاتاحة: https://doi.org/10.1080/00319104.2014.978500
http://www.tandfonline.com/doi/pdf/10.1080/00319104.2014.978500

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18

Academic Journal

Subcritical and supercritical thermodynamic properties calculations for quantum light molecules using an extended LJ potential-based equation of state

المؤلفون: Moosavi, Majid

المصدر: Physics and Chemistry of Liquids ; volume 52, issue 2, page 291-304 ; ISSN 0031-9104 1029-0451

الاتاحة: https://doi.org/10.1080/00319104.2013.821124
http://www.tandfonline.com/doi/pdf/10.1080/00319104.2013.821124

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19

Academic Journal

DFT and COSMO-RS studies on dicationic ionic liquids (DILs) as potential candidates for CO2 capture: the effects of alkyl side chain length and symmetry in cations.

المؤلفون: Torkzadeh, Mehrangiz, Moosavi, Majid

المصدر: RSC Advances; 2022, Vol. 12 Issue 54, p35418-35435, 18p

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20

Academic Journal

A molecular dynamics study on magnetic imidazolium-based ionic liquids: the effect of an external magnetic field

المؤلفون: Daneshvar, Azadeh, Moosavi, Majid, Sabzyan, Hassan

المساهمون: University of Isfahan

المصدر: Physical Chemistry Chemical Physics ; volume 22, issue 23, page 13070-13083 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/c9cp06994a
http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06994A

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