سامانه پژوهشی دانشگاه مراغه | نفيسه محمدي راد

نام و نام خانوادگی	نفیسه محمدی راد
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	عنوان	مجله
1	Defect stabilized Fe atom on porous BN sheet as a potential electrocatalyst for oxygen reduction reaction: A first-principles investigation	APPLIED SURFACE SCIENCE 580 (2021) 0-0
2	Theoretical insights into oxygen reduction reaction catalyzed by phosphorus-doped divacancy C3N nanosheet	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 100 (2020) 1-8
3	CuN3 doped graphene as an active electrocatalyst for oxygen reduction reaction in fuel cells: A DFT study	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 96 (2020) 1-10
4	A first-principles study on the adsorption behavior of methanol and ethanol over C59B heterofullerene	MOLECULAR PHYSICS 115 (2017) -
5	Characterization of r-hole interactions in 1:1 and 1:2 complexes of YOF 2 X (X 5 F, Cl, Br, I; Y 5 P, As) with ammonia: competition between halogen and pnicogen bonds	Structural Chemistry 27 (2016) -
6	Tetrel bond cooperativity in open-chain (CH3CN)n and (CH3NC)n clusters (n = 2–7): An ab initio study	Chemical Physics Letters 628 (2015) -
7	Effect of cation–π interaction on lithium and halogen bonds: a comparative study	MOLECULAR PHYSICS 113 (2015) -
8	An ab initio study on tunability of σ-hole interactions in XHS:PH2Y and XH2P:SHY complexes (X=F, Cl, Br; Y=H,OH, OCH3, CH3, C2H5, and NH2)	JOURNAL OF MOLECULAR MODELING 21 (2015) -
9	Halogen bond interactions enhanced by sodium bonds — Theoretical evidence for cooperative and substitution effects in NCX···NCNa···NCY complexes (X = F, Cl, Br, I; Y = H, F, OH)	CANADIAN JOURNAL OF CHEMISTRY 92 (2014) -
10	A DFT investigation on basis set size and hydrogen-bonding effects on 17O and 2H NQR parameters	JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 12 (2013) -
11	Insights into the strength and nature of carbene···halogen bond interactions: a theoretical perspective	JOURNAL OF MOLECULAR MODELING 19 (2013) -

نفیسه محمدی راد