Zobrazeno 1 - 10 of 32 pro vyhledávání: '"Ebrahim Nemati-Kande"'
1
Akademický článek
Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study
Autor: Sima Mahmoudi, Mir Maqsood Golzan, Ebrahim Nemati-Kande
Publikováno v: Scientific Reports, Vol 14, Iss 1, Pp 1-14 (2024)
Abstract In this study, the structural, elastic, electronic, and thermoelectric properties of full Li2BeAl and Li2BeGa Heusler alloys were explored using density functional and the Boltzmann transport theories. The GGA and HSE approximations have bee
Externí odkaz: https://doaj.org/article/38d14aab30cd48ee8bf48f5cff879b3e
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2
Akademický článek
Quantum DFT studies on the drug delivery of favipiravir using pristine and functionalized chitosan nanoparticles
Autor: Sheyda Ataei, Ebrahim Nemati-Kande, Aidin Bahrami
Publikováno v: Scientific Reports, Vol 13, Iss 1, Pp 1-15 (2023)
Abstract Considering the spread of the COVID-19 pandemic, finding new drugs along with the development of effective drug delivery methods can help in the treatment of this disease. For this reason, in this research work, the possibility of drug-deliv
Externí odkaz: https://doaj.org/article/9a03595dc9d243b688647a74cac046aa
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3
Akademický článek
Phase diagrams of PEG1000,1500,2000,4000,6000 + lithium citrate + water ATPSs, and the partitioning of salbutamol at T = 298.15 K
Autor: Ebrahim Nemati-Kande, Zolfa Azizi, Marziyeh Mokarizadeh
Publikováno v: Scientific Reports, Vol 13, Iss 1, Pp 1-15 (2023)
Abstract Salbutamol is a drug used to treat the pulmonary diseases by ameliorate the medium and large airways in the lungs. Partitioning of salbutamol drug on the aqueous two-phase systems (ATPSs) of PEG1000,1500,2000,4000,6000 + trilithium citrate +
Externí odkaz: https://doaj.org/article/560e0454311a4ab4bcaf96dd443585cb
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4
Akademický článek
Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes
Autor: Ebrahim Nemati‐Kande, Amir Pourasadi, Fatemeh Aghababaei, Samaneh Baranipour, Ata Mehdizadeh, Jaber Jahanbin Sardroodi
Publikováno v: Scientific Reports, Vol 12, Iss 1, Pp 1-19 (2022)
Abstract Nanostructures, nowadays, found growing applications in different scientific and industrial areas. Nano-coins, nanosheets, and nanotubes are used in medical applications as sensors or drug delivery substances. The aim of this study is to exp
Externí odkaz: https://doaj.org/article/f482cd3f8e4148bc8cb3ef524137c6eb
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7
Quantum mechanical and classical calculation of the transport and relaxation properties of He⋯CO2 complex using a new PES
Autor: Ebrahim Nemati-Kande, Fatemeh Aghababaei, Salar Sadeghi
Publikováno v: Physical Chemistry Chemical Physics. 25:13521-13532
The PES of the He⋯CO2 van der Waals complex was extracted from ab-initio method and used to calculate the transport and relaxation properties of the complex using quantum mechanical close-coupling, classical Chapman–Enskog, and classical molecula
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::de23d66aaef48e05996cc8e97b5a3b41
https://doi.org/10.1039/d2cp05924j
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