2024 : 12 : 19
فارسی
Yasin Gholiee

Yasin Gholiee

Academic rank: Assistant Professor
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Education: PhD.
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Faculty: science
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Education

  • PhD. in Inorganic Chemistry , Bu Ali Sina University , Iran (2010 - 2015)
    Thesis title:
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Courses

Bachelor Of Science
Master Of Science

Research activities

Journal Papers
Recognition of halide anions by N,N’-bis(4- nitrophenyl)urea in the gas-phase and solution: a computational study Yasin Gholiee (2024)
Nature of metal–bis(β-diketonate) bonds in TM(acac’)2 (acac’ = acetylacetonate, hexafluoroacetylacetonate, hexamethylacetylacetonate; TM = Ni(II), Pd(II), Pt(II)) complexes: A density functional theory investigation Yasin Gholiee (2024)
The nature and degree of the cooperativity of (η5-C5H5)–metal and metal–CO bonds in half-sandwich complexes of groups 5, 7, 9, and 11 transition metals Samaneh Sanei Movafagh, Yasin Gholiee, Sadegh Salehzadeh (2024)
Exploring host–guest interactions of bis(4-nitrophenyl)squaramide with halide anions: a computational investigation in the gas-phase and solution Yasin Gholiee (2024)
Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes Hanieh Mehri, Yasin Gholiee (2024)
Nature and strength of metal-dichalcogenolate bond in homoleptic square-planar d8 metal bis(1,2-dichalcogenolate) complexes [M (E2C2(CN)2)2]2– (E=S, Se, Te; M=Ni(II), Pd(II), Pt(II)): A DFT study Yasin Gholiee (2023)
A Theoretical Study on the Strength and Nature of Metaldithiolate Bond in Homoleptic Complexes [M(S2C2R2)2]2– (M=Ni(II), Pd(II), Pt(II); R=H, Me, CN) Yasin Gholiee (2023)
Electronic structure, nature of bond and carbonyl vibrational frequency analysis of half-sandwich complexes [(η6 -arene)M(CO)3] (arene = hexafluorobenzene, 1,3,5-trifluorobenzene, benzene, 1,3,5-trimethylbenzene, hexamethylbenzene; M = Cr, Mo, W); A theoretical study Yasin Gholiee (2022)
A computational study on the nature, strength and cooperativity of bonds in [M(η5–C60Me5)(CO)n] and [M(η5–Cp)(CO)n] (n = 3, M = Mn(i), Tc(i), Re(i); n = 2, M = Co(i), Rh(i), Ir(i)) complexes Yasin Gholiee (2022)
Synthesis, characterization, crystallographic structure, theoretical studies, and in vitro cytotoxicity assessment of two Gd(III) and Ce(IV) complexes containing pyridine-2,6-dicarboxylate Yasin Gholiee (2022)
مقایسه ساختار، ماهیت پیوند و انتقالات الکترونی در هیبریدهای [M(η5-Cp)(η5-C60Me5)] (M = Fe2+, Ru2+, Os2+) و متالوسنهای مربوطه: یک مطالعه تیوری Yasin Gholiee (2021)
The solvent effect on selectivity of four well-known cryptands and crown ethers toward Na+ and K+ cations; A computational study Yasin Gholiee (2020)
Significant geometry and charge difference between the E5 4 bare clusters of group 14 Zintl anions and their coordinated form in [E5{M(CO)3}2]4 (E = Si, Ge, Sn, Pb; M = Cr, Mo, W) complexes Yasin Gholiee (2019)
Theoretical study on steric effects, electronic properties, preorganization and solvent effect in host–guest chemistry of hexaprotonated form of an azacyclophane and halide anions Yasin Gholiee (2017)
What causes the weakest host to act as the strongest one? A theoretical study on the host–guest chemistry of five azacryptands and fluoride anions Yasin Gholiee (2015)
Pd(II) and Pd(IV) complexes with 5-methyl-5-(4-pyridyl)hydantoin: Synthesis, physicochemical, theoretical, and pharmacological investigation Yasin Gholiee (2015)
MP2 and DFT studies on interaction of a halide anion with the fully protonated form of 1,4,7-triazacyclononane Yasin Gholiee (2015)
A theoretical study on the encapsulation of halide anions by hexaprotonated form of aliphatic azacryptand 1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosane in both the gas phase and solution Yasin Gholiee (2015)
Spectroscopic, theoretical, and antibacterial approach in the characterization of 5-methyl-5-(3-pyridyl)-2,4-imidazolidenedione ligand and of its platinum and palladium complexes Yasin Gholiee (2015)
The significant role of the solvent in high selectivity of symmetrical calix[4]tubes for potassium ion in solution: A DFT study Yasin Gholiee (2014)
Regioselective Diels–Alder reaction of 2-phosphaindolizine with some 1,3-butadiene derivatives (RCHCHCHCH2, R = F, Cl, CH3 and SiH3): A theoretical study Yasin Gholiee (2014)
Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation Yasin Gholiee (2014)
Gold(III) complexes of 5-methyl-5-(pyridyl)-2,4-imidazolidenedione: synthesis, physicochemical, theoretical, antibacterial, and cytotoxicity investigation Yasin Gholiee (2013)
Mercury(II) complexes with 5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione: Synthesis, structural characterization, and theoretical studies Yasin Gholiee (2013)
A theoretical study on the importance of steric effects, electronic properties, interaction and solvation energies in the ‘host–guest’ chemistry of protonated azacryptands and halide anions Yasin Gholiee (2013)
Synthesis, characterization, thermal, electrochemical, and DFT studies of mononuclear cyclopalladated complexes containing bidentate phosphine ligands and their biological evaluation as antioxidant and antibacterial agents Yasin Gholiee (2012)
Prediction of microscopic protonation constants of polybasic molecules via computational methods: A complete microequilibrium analysis of spermine Yasin Gholiee (2010)
Complete Gas-Phase Proton Microaffinity Analysis of five Linear Tetraamines Containing two Ethylenediamine Residues Yasin Gholiee (2010)
Conference Papers

Research interests

  • Non-covalent Interactions; Host-Guest Chemistry; Proton affinity / Prediction of Microscopic Protonation Constants of Polybasic Molecules; Nature of Metal-Ligand Bonding in Complexes; Drug-DNA Interaction.
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Executive activities

  • Head of department (1399 - 1401)
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