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pro vyhledávání: '"Maryam Anafcheh"'
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Autor:
Ghodsi Mohammadi Ziarani, Mahdieh Khademi, Fatemeh Mohajer, Maryam Anafcheh, Alireza Badiei, Jahan B. Ghasemi
Publikováno v:
Research on Chemical Intermediates. 48:2111-2133
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5b77f77d17fb90b868c28e39e17c99cf
https://doi.org/10.1007/s11164-022-04682-0
https://doi.org/10.1007/s11164-022-04682-0
Autor:
Mansour Zahedi, Maryam Anafcheh
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 152:931-938
Density functional theory calculations were applied to investigate LiF decoration of B12N12 cage in terms of the structures and stabilities. Then, the resulted LiF-decorated B12N12 cages were explored to find their capability as hydrogen storage. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa54691dc749ad0cc8b458c6fd1d09de
https://doi.org/10.1007/s00706-021-02819-2
https://doi.org/10.1007/s00706-021-02819-2
Autor:
Mansour Zahedi, Maryam Anafcheh
Publikováno v:
Catalysis Letters. 152:1224-1232
The AlH2-catalyzed hydrogenation of carbon dioxide into formic acid by a novel catalyst of aluminum ligated NNN pincerfullerene, AlH2-bis(imino)pyrollidinofullerene, was investigated through metal–ligand cooperative (out of metal–ligand cooperati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28a4348dc363007816fa8708ae2c307f
https://doi.org/10.1007/s10562-021-03723-4
https://doi.org/10.1007/s10562-021-03723-4
Autor:
Maryam Anafcheh, Mansour Zahedi
Publikováno v:
Journal of Cluster Science. 33:1239-1248
We have designed new hydroborane fullerene-based pincer ligands of BH-(NCH2PR2)2C60, R = H, CH3, tBu and Ph, and their metal complexes. It is found that the substitution of CH3 and tBu for hydrogens of PH2 in flanking arms of BH-(NCH2PH2)2C60 signifi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d5c904482f4863bf238ea9a7fbf1d48
https://doi.org/10.1007/s10876-021-02051-2
https://doi.org/10.1007/s10876-021-02051-2
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 152:241-250
We study the Si doping of contiguous pentagons in the non-IPR C60(D3) and C70(C2v), and SW-defective IPR C60 fullerenes. At that point, Diels–Alder [4 + 2] cycloaddition between butadiene, as diene, and the dangling bonds of silicon dimers of conti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dc6b3469cf8522be372cc73bcf3c35a5
https://doi.org/10.1007/s00706-021-02743-5
https://doi.org/10.1007/s00706-021-02743-5
Publikováno v:
Journal of Cluster Science. 33:29-35
We have studied the addition of reaction between iminoborane HBNH with the BnNn cages (n = 12, 16, 28 and 36) for the chemoselectivity (BN bond cleavage and expansion ring vs [2 + 2] cycloaddition) and regioselectivity (square–hexagon junctions vs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4bbf9ecdcd86a9302b2c991cf156e75
https://doi.org/10.1007/s10876-020-01933-1
https://doi.org/10.1007/s10876-020-01933-1
Autor:
Maryam Anafcheh, Mansour Zahedi
Publikováno v:
Structural Chemistry. 32:97-106
We performed density functional calculations to study conversion of carbon dioxide to formic acid through designed catalyst of Rh-decorated phosphorous-doped fullerenes. Two paths of reaction are considered for this conversion. In the first pathway,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc148c8c903f5fedcf11dea0b0c92915
https://doi.org/10.1007/s11224-020-01621-w
https://doi.org/10.1007/s11224-020-01621-w
Publikováno v:
Molecular Simulation. 46:565-572
We have investigated [2+3] cycloaddition reactions occurred thorough the addition of 1,3-dipoles, azomethine ylide derivatives (RHC-NH+-CHR–), to [6, 6] ring fusion bonds of a fullerene C60 cage, i...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b00db17eb11136ac42948339425d2882
https://doi.org/10.1080/08927022.2020.1746303
https://doi.org/10.1080/08927022.2020.1746303
Autor:
Maryam Anafcheh
We have applied density functional theory calculations to study the polarizabilities of the LiF decorated B12N12 cages (B12N12LinFn derivatives, n=1-12). The mean polarizability of LiF decorated B12N12 cages (23.455-238.882 Å3) are higher than that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2659::108c1111711efaf12a9b5697aecfb9b4
https://zenodo.org/record/5920307
https://zenodo.org/record/5920307
