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1 . Academic Journal
Investigation of adsorption behavior of penicillamine anticancer drug upon B12P12, Ga12P12, and B6Ga6P12 fullerene-like nano-cages: A DFT insight
저자
by
Khaleghian, Mehrnoosh
;
Sheikhi, Masoome
;
Shahab, Siyamak
;
Kaviani, Sadegh
.
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Computational and Theoretical Chemistry
July 2024 1237
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6 . Academic Journal
Synthesis, characterization, bioactivity and antioxidant properties of new acridine derivatives. Experimental and DFT studies
저자
by
Almodarresiyeh, Hora Alhosseini
;
Shahab, Siyamak
;
Sheikhi, Masoome
;
Filippovich, Liudmila
;
Tarun, Ekaterina
, et al.
소스
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Computational and Theoretical Chemistry
November 2023 1229
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7 . Academic Journal
Predicting adsorption behavior of Triacanthine anticancer drug with pure B12N12 nano-cage: A theoretical study
저자
by
Yahyaei, Hooriye
;
Sheikhi, Masoome
;
Azarakhshi, Fatemeh
;
Ahmadianarog, Mahin
;
Kaviani, Sadegh
, et al.
소스
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Journal of the Indian Chemical Society
January 2023 100(1)
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7 . Academic Journal
Superalkali X3O (X = Li, Na, K) doped B12N12 nano-cages as a new drug delivery platform for chlormethine: A DFT approach
저자
by
Sheikhi, Masoome
;
Kaviani, Sadegh
;
Azarakhshi, Fatemeh
;
Shahab, Siyamak
.
소스
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Computational and Theoretical Chemistry
June 2022 1212
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6 . Academic Journal
Quantum chemical modeling, synthesis, spectroscopic (FT-IR, excited States, UV–Vis) studies, FMO, QTAIM, NBO and NLO analyses of two new azo derivatives
저자
by
Huo, Erfu
;
Shahab, Siyamak
;
Saud, Sultan Al
;
Cheng, Weiqin
;
Lu, Peng
, et al.
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Journal of Molecular Structure
5 November 2021 1243
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7 . Academic Journal
Two new dichroic dyes: Quantum chemical modeling, synthesis, optical properties and their application in polarizing films
저자
by
Shahab, Siyamak
;
Yahyaei, Hooriye
;
Sheikhi, Masoome
;
Filippovich, Liudmila
;
Zhou, Hongwei
, et al.
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Journal of Molecular Structure
5 September 2021 1239
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7 . Academic Journal
DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease
저자
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Shahab, Siyamak
;
Sheikhi, Masoome
;
Alnajjar, Radwan
;
Saud, Sultan Al
;
Khancheuski, Maksim
, et al.
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Journal of Molecular Structure
15 March 2021 1228
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7 . Academic Journal
Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study
저자
by
Kaviani, Sadegh
;
Shahab, Siyamak
;
Sheikhi, Masoome
.
소스
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Physica E: Low-dimensional Systems and Nanostructures
February 2021 126
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5 . Academic Journal
Quantum chemical modeling, synthesis, FT-IR, 1H NMR, 13C NMR and UV/Vis of new azomethine derivatives
저자
by
Erfu, Huo
;
Shahab, Siyamak
;
Sheikhi, Masoome
;
Alnajjar, Radwan
;
Peng, Lu
.
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Journal of Molecular Structure
5 December 2020 1221
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7 . Academic Journal
Quantum-chemical modeling, spectroscopic (FT-IR, excited states, UV/Vis, polarization, and Dichroism) studies of two new benzo[d]oxazole derivatives
저자
by
Shahab, Siyamak
;
Sheikhi, Masoome
;
Filippovich, Liudmila
;
Alnajjar, Radwan
;
Ihnatovich, Zanna
, et al.
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Journal of Molecular Structure
15 February 2020 1202
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