Výsledky vyhledávání - "Shamsa Sharifi"

Study of the Adsorption Antioxidant Compound Malva on the BNNT(9,9-9): An Investigation based on DFT Method

Autor: null Shamsa Sharifi, null Mehrnoosh Khaleghian

Publikováno v: Russian Journal of Physical Chemistry B. 16:175-184

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3dfd1fa88293de53ce9e2153b6256148
https://doi.org/10.1134/s1990793122010146

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Adsorption of Noroxyhydrastinine on the Surface of the B12N12 Fullerene: A DFT/TD-DFT and Spectroscopic Study

Autor: Masoome Sheikhi, Fatemeh Azarakhshi, Siyamak Shahab, Shamsa Sharifi

Publikováno v: Russian Journal of Physical Chemistry A. 95:S189-S200

In this research, we studied the adsorption effect of the noroxyhydrastinine (NOS) on the electronic and optical properties of B12N12 fullerene using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations w

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7977a6479b9770f86b19955adec5787b
https://doi.org/10.1134/s003602442114020x

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Theoretical Study of Adsorption of Solriamfetol Drug on Surface of the B12N12 Fullerene: A DFT/TD-DFT Approach

Autor: Masoome Sheikhi, Mahin Ahmadianarog, Hooriye Yahyaei, Siyamak Shahab, Shamsa Sharifi

Publikováno v: Letters in Organic Chemistry. 18:115-127

For the first time in the present study, we studied the adsorption effect of the Solriamfetol (SOF) on the electronic and optical properties of B12N12 fullerene using density functional theory (DFT) and time-dependent density functional theory (TD-DF

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::23d36f9c9677fd5338dee4a1053bd87b
https://doi.org/10.2174/1570178617999200818104322

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Theoretical Study of Non-Bonded Interaction between Anticancer Drug Fludara and (2S,3R,4S,5S)-2-(Hydroxymethyl)-3,5-dimethyloxolane-3,4-diol: A DFT Study

Autor: Evgeny Kvasyuk, Mehrnoosh Khaleghian, Masoome Sheikhi, Siyamak Shahab, Shamsa Sharifi

Publikováno v: Russian Journal of Physical Chemistry A. 95:127-138

In this research, the density functional theory (DFT) calculations were carried out for investigation non-bonded interaction between the anticancer drug Fludarabine (Fludara) with sugar molecule (2S,3R,4S,5S)-2-(hydroxymethyl)-3,5-dimethyloxolane-3,4

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cd722dfec6c24ea7219a4be32a791bc5
https://doi.org/10.1134/s003602442101026x

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Akademický článek

Study of the Adsorption Antioxidant Compound Malva on the BNNT(9,9-9): An Investigation based on DFT Method.

Autor: Shamsa Sharifi, Mehrnoosh Khaleghian

Publikováno v: Russian Journal of Physical Chemistry B: Focus on Physics; Feb2022, Vol. 16 Issue 1, p175-184, 10p

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Alkali Doping Nickel Oxide Thin Films Using Sol-Gel Spin Coated and Density Functional Theory: Structural and Physical Properties.

Autor: Touhami, H., Almi, K., Lakel, S., Boumezrag, M. N. E.

Publikováno v: Russian Journal of Physical Chemistry B: Focus on Physics; Oct2023, Vol. 17 Issue 5, p1057-1068, 12p

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Akademický článek

Theoretical Study of Non-Bonded Interaction between Anticancer Drug Fludara and (2S,3R,4S,5S)-2-(Hydroxymethyl)-3,5-dimethyloxolane-3,4-diol: A DFT Study.

Autor: Masoome Sheikhi, Shahab, Siyamak, Sharifi, Shamsa, Kvasyuk, Evgeny, Khaleghian, Mehrnoosh

Publikováno v: Russian Journal of Physical Chemistry; Jan2021, Vol. 95 Issue 1, p127-138, 12p

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