سامانه پژوهشی دانشگاه مراغه | سهيلا اسداللهي

نام و نام خانوادگی	سهیلا اسداللهی
شغل	دانشجوی دانشگاه مراغه
تحصیلات	—
مرتبه علمی	—
وبسایت
پست الکترونیک	—

	عنوان	مجله
1	A DFT study on NO reduction to N2O using Al- and P-doped hexagonal boron nitride nanosheets	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 89 (2019) 41-49
2	A comparative DFT study on single-atom catalysis of CO oxidation over Al- and P-embedded hexagonal boron-nitride nanosheets	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 85 (2018) 323-330
3	Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study	APPLIED SURFACE SCIENCE 463 (2018) 526-534
4	A Single Pd Atom Stabilized on Boron-Vacancy of h-BN Nanosheet: A Promising Catalyst for CO Oxidation	CHEMISTRYSELECT 3 (2018) 9181-9188
5	Anionic tetrel bonds: An ab initio study	Chemical Physics Letters 691 (2018) 394-400
6	Exploring hydride-π interactions and their tuning by σ-hole bonds: an ab initio study	MOLECULAR PHYSICS 116 (2018) 118-128
7	The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 73 (2017) -
8	An ab initio study on properties of cationic chalcogen bonds in XF2Y+···NCZ (X=H, CN, F; Y= S, Se; Z=H, Cl, Br) complexes	Journal of Sulfur Chemistry 38 (2017) -
9	Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X=F, Cl, Br) complexes: An ab initio investigation	Structural Chemistry 27 (2016) -
10	Investigation of Substituent Effects in Aerogen-Bonding Interaction Between ZO 3 (Z5Kr, Xe) and Nitrogen Bases	International Journal of Quantum Chemistry 116 (2016) -
11	The mutual influence of Y···N and H···H interactions in XHY···NCH···HM complexes (X = F, Cl, Br; Y = S, Se; M = Li, Na, BeH, MgH): tuning of the chalcogen bond by dihydrogen bond interaction	CANADIAN JOURNAL OF CHEMISTRY 94 (2016) -
12	Strengthening of the halogen-bonding by an aerogen bond interaction Substitution and cooperative effects in O3Z···NCX···NCY (Z= Kr, Xe; X = Cl, Br, I; Y=H, F, OH) complexes	MOLECULAR PHYSICS 114 (2016) -
13	Cationic P•••N interaction in XH3P+•••NCY complexes (X=H, F, CN, NH2, OH; Y=H, Li, F, Cl) and its cooperativity with hydrogen/lithium/halogen bonds	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 64 (2016) -

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