سامانه پژوهشی دانشگاه مراغه | اسماعيل وصالي

نام و نام خانوادگی	اسماعیل وصالی
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	عنوان	مجله
1	Adsorption sensitivity of pristine, Al– and Si–doped boron nitride nanoflake to COCl2: A DFT study	MOLECULAR PHYSICS 117 (2019) 626-634
2	Chloropicrin sensor based on the pristine BN nanocones: DFT studies	Structural Chemistry 29 (2018) 585-592
3	The ClCN adsorption on the pristine and Al-doped boron nitride nanosheet, nanocage, and nanocone: Density functional studies	THIN SOLID FILMS 645 (2018) 363-369
4	Adsorption and decomposition of formaldehyde on the B12N12 nanostructure: a density functional theory study	MONATSHEFTE FUR CHEMIE Volume 148, Issue 10 (2017) 1727-1731
5	N2O + CO reaction over single Ga or Ge atom embedded graphene: A DFT study	SURFACE SCIENCE 667 (2017) 105-111
6	New Page to Access Pyrazines and their Ring Fused Analogues: Synthesis from N-Propargylamines	CURRENT ORGANIC SYNTHESIS Volume 14 , Issue 4 (2017) 557-567
7	A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster	Structural Chemistry 28 (2017) -
8	A DFT study on the central-ring doped HBC nanographenes	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 73 (2017) -
9	An ab initio study on substituent and cooperative effects in bifurcated fluorine bonds	MOLECULAR PHYSICS 115 (2017) -
10	Symmetric bifurcated halogen bonds: Substituent and cooperative effects	MOLECULAR PHYSICS 114 (2016) -
11	The strengthening effect of a hydrogen or lithium bond on the Z•••N aerogen bond (Z = Ar, Kr and Xe): a comparative study	MOLECULAR PHYSICS 114 (2016) -
12	Insight into the intermolecular interactions in the NF3–HSO system: a computational study	Journal of Sulfur Chemistry 37 (2016) -
13	New route to 1,4-oxazepane and 1,4-diazepane derivatives: synthesis from N -propargylamines	RSC Advances 6 (2016) -
14	A structural study of fentanyl by DFT calculations, NMR and IR spectroscopy	Journal of Molecular Structure 1128 (2016) -
15	A theoretical evidence for cooperative enhancement in aerogen-bonding interactions: Open-chain clusters of KrOF2 and XeOF2	Chemical Physics Letters 662 (2016) -
16	New page to access pyridine derivatives: synthesis from N -propargylamines	RSC Advances 6 (2016) -
17	Novel routes to quinoline derivatives from N - propargylamines	RSC Advances 6 (2016) -
18	An ab initio study on the nature of σ-hole interactions in pnicogen-bonded complexes with carbene as an electron donor	MOLECULAR PHYSICS 114 (2016) -
19	A novel multicomponent reaction between amino acids, aromatic aldehydes and p-toluenesulfonylmethyl isocyanide: an ef ﬁ cient and green one-pot synthesis using nanosilica	Green Chemistry Letters and Reviews 9 (2016) -
20	Experimental and theoretical study on diethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioate using different levels of computational methods	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 140 (2015) -
21	Application of Si-Doped Graphene as a Metal-Free Catalyst for Decomposition of Formic Acid: A Theoretical Study	International Journal of Quantum Chemistry 115 (2015) -
22	Cooperative interaction between hydrogen bond and N···Y interactions (Y = H, Li, F, Cl, and Br): a comparative study	CANADIAN JOURNAL OF CHEMISTRY 93 (2015) -
23	The interaction energies between glycoluril clip and thiophenol derivatives using density functional theory calculations	Journal of Sulfur Chemistry 36 (2015) -
24	Synthesis of the glycoluril derivatives by the HZSM-5 nanozeolite as a catalyst	Green Chemistry Letters and Reviews 7 (2014) 0-0
25	One-pot synthesis, FT-IR and density functional method (DFT) studies on N-benzyl-N-ethyl-N-[5-nitro-2-(1,1,3,3-Tetramethylbutylamino)-1-benzofuran-3-yl]amine	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 116 (2013) -
26	Exploring surface reactivity of phosphorous-doped (6,0) and (4,4) BC3 nanotubes: a DFT study	JOURNAL OF MOLECULAR MODELING 19 (2013) -
27	HRgCN and HRgNC as halogen bond acceptors (Rg = Kr and Xe): A theoretical study upon strength and nature of halogen nitrogen and halogen carbon interactions	Computational and Theoretical Chemistry 1020 (2013) -

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