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 OverView
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 Research Intersets:
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Theoretical chemistry
DFT of Materials and nanotechnology
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 Qualifications
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Degree
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University
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Specialization
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Graduation year
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| 1 | PHD | Leiden University | Chemistry | 2008 |
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 Publications
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1- DFT Insights into FEBID Stability: Condensed Study of
Gold(I) Complexes with Phosphine Ligands ,ChemistrySelect, 2024,Vol. 9,no. 9.
2- Tuning the photophysical properties of BODIPY dyes used in DSSCs as predicted by double-hybrid TD-DFT: The role of the methyl substituents ,International Journal of Quantum Chemistry, 2022,Vol. 122,no. 24.
3- Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spincomponent- scaled double-hybrid functionals: a TD-DFT benchmark study ,RSC Advances, 2022,Vol. 12,no. 3.
4- Robust Barium Phosphonate Metal?Organic Frameworks Synthesized under Aqueous Conditions ,ACS Materials Letters, 2021,Vol. 3,no. 7.
5- Thiacrown Ethers Engaged C60 through Charge Transfer: Experimental and Theoretical Study ,ACS Omega, 2020,Vol. 5,no. 39.
6- Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine ,scientific reports, 2020,Vol. 10,no. 11698 .
7- The effect of some green inhibitors on the corrosion rate of Cu, Fe and Al metals ,International Journal of Corrosion and Scale Inhibition, 2019,Vol. 8,no. 2.
8- The rational design of a Au(I) precursor for focused electron beam induced deposition ,Beilstein Journal of Nanotechnology, 2017,Vol. 8,no. 8.
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